Vitas-M small molecule compound
methyl 2-({[2-(4-tert-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK424086
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(C)(C)C
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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 C32H34N2O3S MW 526.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O3S/c1-6-19-11-16-23-27(17-19)38-30(28(23)31(36)37-5)34-29(35)24-18-26(33-25-10-8-7-9-22(24)25)20-12-14-21(15-13-20)32(2,3)4/h7-10,12-15,18-19H,6,11,16-17H2,1-5H3,(H,34,35)InChIKey
XLDLEWSVUYHZFJ-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC32H34N2O3Sc161911162327(1719)3830(28(23)31(36)375)3429(35)241826(33251087922(24)25)20121421(151320)32(23)4h71012151819H6111617H215H3(H3435)
methyl2(((2(4tertbutylphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4tertbutylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD02176142
ZINC000002758580
ZINC000002758581
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