Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({(E)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK803992
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc(cc2C)C)\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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-7-34-28(33)25-22-11-9-20(29(4,5)6)13-24(22)36-27(25)31-15-19(14-30)26-32-23(16-35-26)21-10-8-17(2)12-18(21)3/h8,10,12,15-16,20,31H,7,9,11,13H2,1-6H3/b19-15+InChIKey
SWGHYTCSVZYUBF-XDJHFCHBSA-NSynonyms
(Z)ethyl6(tertbutyl)2((2cyano2(4(24dimethylphenyl)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=C(C=C(C=C4)C)C
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2C)C)C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2cyano2(4(24dimethylphenyl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H33N3O2S2c173428(33)252211920(29(45)6)1324(22)3627(25)311519(1430)263223(163526)2110817(2)1218(21)3h8101215162031H791113H216H3b1915+
MFCD18169524
ZINC000013512903
ZINC000013512906
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