Vitas-M small molecule compound
ethyl 5-acetyl-2-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STL004406
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc3c(c2)OCO3)/C#N)sc(c1C)C(=O)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 C23H19N3O5S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S2/c1-4-29-23(28)19-12(2)20(13(3)27)33-22(19)25-9-15(8-24)21-26-16(10-32-21)14-5-6-17-18(7-14)31-11-30-17/h5-7,9-10,25H,4,11H2,1-3H3/b15-9-InChIKey
ZCHMIXXIVRIPPC-DHDCSXOGSA-NSynonyms
843631-25-4(Z)ethyl5acetyl2((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)4methylthiophene3carboxylate
843631254
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc3c(c2)OCO3)C#N)sc(c1C)C(=O)C
ethyl5acetyl2(((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)4methylthiophene3carboxylate
InChI=1SC23H19N3O5S2c142923(28)1912(2)20(13(3)27)3322(19)25915(824)212616(103221)14561718(714)31113017h5791025H411H213H3b159
MFCD04014978
ZINC000002422302
ZINC02422302
ZINC2422302
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