<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341250</id>
  <title nil="true"/>
  <common-name>Ethyl (2e)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-5-(3-nitrophenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</common-name>
  <description>Ethyl (2e)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-5-(3-nitrophenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a chemical compound with the formula C25H20N4O6S. With an average molecular weight of 504.50 g/mol, Ethyl (2e)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-5-(3-nitrophenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a heavy molecule.</description>
  <cas>624726-72-3</cas>
  <pubchem-id>6154081</pubchem-id>
  <chemical-formula>C25H20N4O6S</chemical-formula>
  <weight>504.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T01:30:30Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:30:30Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C(=C4C5=CC=CC=C5N(C4=O)C)S2)C</moldb-smiles>
  <moldb-formula>C25H20N4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H20N4O6S/c1-4-35-24(32)18-13(2)26-25-28(20(18)14-8-7-9-15(12-14)29(33)34)23(31)21(36-25)19-16-10-5-6-11-17(16)27(3)22(19)30/h5-12,20H,4H2,1-3H3/b21-19+</moldb-inchi>
  <moldb-inchikey>RGDLECNOYICOIC-XUTLUUPISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">504.1103555</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM337143</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl (2e)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-5-(3-nitrophenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291648</sync-id>
  <structure-inchikey>RGDLECNOYICOIC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000004000050022000000000000000000000000000000002000020000000008000002000000000000000000000010000000080000000000000000000000000000000000020080010000100001000000000410000000000010001000200000000110000800000010100100000000090000100100001000040000000800000000000084000004000201100000000020000000821000100000040000000000000080000080000100000000201000100000000100000000000000400200020000000010001000000000000002000000200000000000800400000000000000040000000000400000800001000000000001000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:14Z</structure-indexed-at>
</compound>
