Vitas-M small molecule compound
ethyl 7-cyano-3-(4-methylphenyl)-6-thioxo-1,3,4,6-tetrahydro-2H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate
Catalog ID
STK886594
SMILES CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(C2)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-3-24-18(23)15-8-13(9-19)17(25)22-11-21(10-20-16(15)22)14-6-4-12(2)5-7-14/h4-8,20H,3,10-11H2,1-2H3InChIKey
AZOYCSRCRWZTRD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2NCN(CN2C(=S)C(=C1)C#N)C3=CC=C(C=C3)C
ethyl7cyano3(4methylphenyl)6sulfanylidene24dihydro1Hpyrido(12a)(135)triazine9carboxylate
ethyl7cyano3(4methylphenyl)6thioxo1346tetrahydro2Hpyrido(12a)(135)triazine9carboxylate
InChI=1SC18H18N4O2Sc132418(23)15813(919)17(25)221121(102016(15)22)146412(2)5714h4820H31011H212H3
MFCD10087166
ZINC000012250608
ZINC12250608
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