Vitas-M small molecule compound
ethyl 2-(3-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK183227
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(/C(=O)Nc1ccc(c(c1)Cl)C)\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 C28H28ClN3O3S MW 522.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O3S/c1-5-35-28(34)25-22-8-6-7-9-24(22)36-27(25)32-17(3)12-19(18(32)4)13-20(15-30)26(33)31-21-11-10-16(2)23(29)14-21/h10-14H,5-9H2,1-4H3,(H,31,33)/b20-13+InChIKey
LPHWORMMADMCAE-DEDYPNTBSA-NSynonyms
(E)ethyl2(3(3((3chloro4methylphenyl)amino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C(C#N)C(=O)NC4=CC(=C(C=C4)C)Cl)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C(C(=O)Nc1ccc(c(c1)Cl)C)C#N
ethyl2(3((1E)3((3chloro4methylphenyl)amino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((E)3(3chloro4methylanilino)2cyano3oxoprop1enyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H28ClN3O3Sc153528(34)2522867924(22)3627(25)3217(3)1219(18(32)4)1320(1530)26(33)3121111016(2)23(29)1421h1014H59H214H3(H3133)b2013+
MFCD02052415
ZINC000002293966
ZINC02293966
ZINC2293966
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