Vitas-M small molecule compound
ethyl 2-(3-{(1Z)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK186243
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(\C(=O)Nc1ccc(cc1)CC)/C#N
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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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-5-20-11-13-23(14-12-20)31-27(33)22(17-30)16-21-15-18(3)32(19(21)4)28-26(29(34)35-6-2)24-9-7-8-10-25(24)36-28/h11-16H,5-10H2,1-4H3,(H,31,33)/b22-16-InChIKey
RSISUUOBFYKMEN-JWGURIENSA-NSynonyms
(Z)ethyl2(3(2cyano3((4ethylphenyl)amino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C(=O)OCC)C)C#N
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C(C(=O)Nc1ccc(cc1)CC)C#N
ethyl2(3((1Z)2cyano3((4ethylphenyl)amino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)2cyano3(4ethylanilino)3oxoprop1enyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H31N3O3Sc1520111323(141220)3127(33)22(1730)16211518(3)32(19(21)4)2826(29(34)3562)249781025(24)3628h1116H510H214H3(H3133)b2216
MFCD02194019
ZINC000009907403
ZINC09907403
ZINC9907403
Check stock
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