Vitas-M small molecule compound
methyl 2-({[(7-ethyl-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
STK733338
SMILES CCC1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)Nc1ccccc1C(=O)OC)c1ccccc1
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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 C28H27N3O4S2 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S2/c1-3-17-13-14-20-22(15-17)37-25-24(20)26(33)31(18-9-5-4-6-10-18)28(30-25)36-16-23(32)29-21-12-8-7-11-19(21)27(34)35-2/h4-12,17H,3,13-16H2,1-2H3,(H,29,32)InChIKey
FQBWBXJAYZMWEI-UHFFFAOYSA-NSynonyms
401574-25-2401574252
CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C5=CC=CC=C5
InChI=1SC28H27N3O4S2c131713142022(1517)372524(20)26(33)31(1895461018)28(3025)361623(32)292112871119(21)27(34)352h41217H31316H212H3(H2932)
methyl2((((7ethyl4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((7ethyl4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2(2((7ethyl4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
MFCD00312433
ZINC000002176442
ZINC000002176443
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