Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK803990
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc(cc2)Cl)\C#N)sc2c1CCC(C2)C(C)(C)C
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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 C27H28ClN3O2S2 MW 526.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2S2/c1-5-33-26(32)23-20-11-8-18(27(2,3)4)12-22(20)35-25(23)30-14-17(13-29)24-31-21(15-34-24)16-6-9-19(28)10-7-16/h6-7,9-10,14-15,18,30H,5,8,11-12H2,1-4H3/b17-14+InChIKey
VHFMVNKYPMPDHF-SAPNQHFASA-NSynonyms
(Z)ethyl6(tertbutyl)2((2(4(4chlorophenyl)thiazol2yl)2cyanovinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Cl
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)Cl)C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2(4(4chlorophenyl)13thiazol2yl)2cyanoethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28ClN3O2S2c153326(32)232011818(27(23)4)1222(20)3525(23)301417(1329)243121(153424)166919(28)10716h6791014151830H581112H214H3b1714+
MFCD18169522
ZINC000002379367
ZINC000002379373
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