Vitas-M small molecule compound
methyl 2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK418813
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2
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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 C21H22ClNO3S MW 403.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO3S/c1-26-21(25)19-15-9-4-2-3-5-11-17(15)27-20(19)23-18(24)13-12-14-8-6-7-10-16(14)22/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,23,24)/b13-12+InChIKey
CAEYWOXCYNAWMR-OUKQBFOZSA-NSynonyms
354995-35-0354995350
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=CC=C3Cl
COC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CCCCCC2
InChI=1SC21H22ClNO3Sc12621(25)1915942351117(15)2720(19)2318(24)1312148671016(14)22h68101213H25911H21H3(H2324)b1312+
methyl2(((2E)3(2chlorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((E)3(2chlorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01350151
ZINC000002082264
ZINC02082264
ZINC2082264
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