Vitas-M small molecule compound

ethyl 2-({[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421461
SMILES CCOC(=O)c1c(sc2c1CCC(C2)CC)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OCC

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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 C31H32N2O4S MW 528.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O4S/c1-4-19-11-16-23-27(17-19)38-30(28(23)31(35)37-6-3)33-29(34)24-18-26(32-25-10-8-7-9-22(24)25)20-12-14-21(15-13-20)36-5-2/h7-10,12-15,18-19H,4-6,11,16-17H2,1-3H3,(H,33,34)
InChIKey
DOTVNDWZEOMIBU-UHFFFAOYSA-N
Synonyms
353786-09-1
353786091
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OCC
ethyl2(((2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4ethoxyphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H32N2O4Sc141911162327(1719)3830(28(23)31(35)3763)3329(34)241826(32251087922(24)25)20121421(151320)3652h71012151819H46111617H213H3(H3334)
MFCD01339066
ZINC000002734329
ZINC000002734330

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Available files

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