Vitas-M small molecule compound
methyl 2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK795882
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c1-33-25(32)17-11-5-7-13-19(17)27-21(30)15-34-26-28-23-22(18-12-6-8-14-20(18)35-23)24(31)29(26)16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14-15H2,1H3,(H,27,30)InChIKey
SLBQMMNJQVOYAY-UHFFFAOYSA-NSynonyms
488718-98-5488718985
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC26H23N3O4S2c13325(32)1711571319(17)2721(30)153426282322(1812681420(18)3523)24(31)29(26)1693241016h25791113H68121415H21H3(H2730)
methyl2((((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
MFCD03291261
ZINC000002337392
ZINC02337392
ZINC2337392
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