Vitas-M small molecule compound
ethyl 2-({(E)-2-cyano-2-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK552468
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc(cc2)C2CCCCC2)\C#N)sc2c1CCCC2
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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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-2-34-29(33)26-23-10-6-7-11-25(23)36-28(26)31-17-22(16-30)27-32-24(18-35-27)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h12-15,17-19,31H,2-11H2,1H3/b22-17+InChIKey
WYNNBLWIRDSUJG-OQKWZONESA-NSynonyms
799771-22-5(E)ethyl2((2cyano2(4(4cyclohexylphenyl)thiazol2yl)vinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
799771225
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)C5CCCCC5
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)C2CCCCC2)C#N)sc2c1CCCC2
ethyl2(((E)2cyano2(4(4cyclohexylphenyl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H31N3O2S2c123429(33)262310671125(23)3628(26)311722(1630)273224(183527)21141220(131521)198435919h1215171931H211H21H3b2217+
MFCD03671771
ZINC000009075570
ZINC09075570
ZINC9075570
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