Vitas-M small molecule compound
dimethyl 2-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK535579
SMILES N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-29-22(27)14-3-5-16(23(28)30-2)17(7-14)25-10-15(9-24)21-26-18(11-33-21)13-4-6-19-20(8-13)32-12-31-19/h3-8,10-11,25H,12H2,1-2H3/b15-10+InChIKey
OQWMFKILDMNGAC-XNTDXEJSSA-NSynonyms
(E)dimethyl2((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)terephthalate
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
dimethyl2(((E)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)benzene14dicarboxylate
InChI=1SC23H17N3O6Sc12922(27)143516(23(28)302)17(714)251015(924)212618(113321)13461920(813)32123119h38101125H12H212H3b1510+
MFCD02983538
N#CC(=CNc1cc(ccc1C(=O)OC)C(=O)OC)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000002307701
ZINC02307701
ZINC2307701
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