Vitas-M small molecule compound
ethyl 2-{[(1-benzyl-2-methyl-1H-indol-3-yl)(oxo)acetyl]amino}-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK666134
SMILES CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C(=O)c1c(C)n(c2c1cccc2)Cc1ccccc1
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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 C29H30N2O4S MW 502.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4S/c1-3-35-29(34)25-21-14-8-10-16-23(21)36-28(25)30-27(33)26(32)24-18(2)31(17-19-11-5-4-6-12-19)22-15-9-7-13-20(22)24/h4-7,9,11-13,15,21,23H,3,8,10,14,16-17H2,1-2H3,(H,30,33)InChIKey
XUWGEMNTUQYOBE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C(=O)C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5)C
ethyl2(((1benzyl2methyl1Hindol3yl)(oxo)acetyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2((2(1benzyl2methylindol3yl)2oxoacetyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
InChI=1SC29H30N2O4Sc133529(34)2521148101623(21)3628(25)3027(33)26(32)2418(2)31(1719115461219)2215971320(22)24h4791113152123H3810141617H212H3(H3033)
MFCD06016974
ZINC000012412796
ZINC000012412802
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