Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK568495
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cccc(c2)[N+](=O)[O-])\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 C27H28N4O4S2 MW 536.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S2/c1-5-35-26(32)23-20-10-9-18(27(2,3)4)12-22(20)37-25(23)29-14-17(13-28)24-30-21(15-36-24)16-7-6-8-19(11-16)31(33)34/h6-8,11,14-15,18,29H,5,9-10,12H2,1-4H3/b17-14+InChIKey
YCCMXQKKKKEGJN-SAPNQHFASA-NSynonyms
(Z)ethyl6(tertbutyl)2((2cyano2(4(3nitrophenyl)thiazol2yl)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)(N+)(=O)(O)
CCOC(=O)c1c(NC=C(c2scc(n2)c2cccc(c2)(N+)(=O)(O))C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28N4O4S2c153526(32)232010918(27(23)4)1222(20)3725(23)291417(1328)243021(153624)1676819(1116)31(33)34h681114151829H591012H214H3b1714+
MFCD05731345
ZINC000102552645
ZINC000102552650
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