Vitas-M small molecule compound
ethyl 2-(3-{(1Z)-2-cyano-3-[(3-methylphenyl)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
STK186350
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(\C(=O)Nc1cccc(c1)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-5-34-28(33)25-23-11-6-7-12-24(23)35-27(25)31-18(3)14-20(19(31)4)15-21(16-29)26(32)30-22-10-8-9-17(2)13-22/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,32)/b21-15-InChIKey
FPKJEJUBOVPUSP-QNGOZBTKSA-NSynonyms
(Z)ethyl2(3(2cyano3oxo3(mtolylamino)prop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C(C#N)C(=O)NC4=CC=CC(=C4)C)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C(C(=O)Nc1cccc(c1)C)C#N
ethyl2(3((1Z)2cyano3((3methylphenyl)amino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((Z)2cyano3(3methylanilino)3oxoprop1enyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H29N3O3Sc153428(33)252311671224(23)3527(25)3118(3)1420(19(31)4)1521(1629)26(32)3022108917(2)1322h8101315H571112H214H3(H3032)b2115
MFCD02052192
ZINC000002296699
ZINC02296699
ZINC2296699
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.