Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK803988
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccccc2)\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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-5-32-26(31)23-20-12-11-19(27(2,3)4)13-22(20)34-25(23)29-15-18(14-28)24-30-21(16-33-24)17-9-7-6-8-10-17/h6-10,15-16,19,29H,5,11-13H2,1-4H3/b18-15+InChIKey
MABMKMSZQIVDNI-OBGWFSINSA-NSynonyms
(Z)ethyl6(tertbutyl)2((2cyano2(4phenylthiazol2yl)vinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC=C(C#N)C3=NC(=CS3)C4=CC=CC=C4
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccccc2)C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2cyano2(4phenyl13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H29N3O2S2c153226(31)2320121119(27(23)4)1322(20)3425(23)291518(1428)243021(163324)1797681017h61015161929H51113H214H3b1815+
MFCD18169520
ZINC000002366284
ZINC000002366287
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