Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK452741
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)/C=C/c1ccc(cc1)Cl
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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/c1-3-13-6-10-16-17(12-13)27-20(19(16)21(25)26-2)23-18(24)11-7-14-4-8-15(22)9-5-14/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3,(H,23,24)/b11-7+InChIKey
OOFDYUWIWJKAAQ-YRNVUSSQSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)Cl
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C=Cc1ccc(cc1)Cl
InChI=1SC21H22ClNO3Sc13136101617(1213)2720(19(16)21(25)262)2318(24)117144815(22)9514h45791113H361012H212H3(H2324)b117+
methyl2(((2E)3(4chlorophenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(4chlorophenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD02605691
ZINC000002752553
ZINC000002752555
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