Vitas-M small molecule compound
dimethyl 5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK844144
SMILES N#C/C(=C/Nc1cc(cc(c1)C(=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)14-5-15(23(28)30-2)7-17(6-14)25-10-16(9-24)21-26-18(11-33-21)13-3-4-19-20(8-13)32-12-31-19/h3-8,10-11,25H,12H2,1-2H3/b16-10-InChIKey
NCSNDLPDWPKJPR-YBEGLDIGSA-NSynonyms
799771-42-9(Z)dimethyl5((2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)amino)isophthalate
799771429
COC(=O)C1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)OC
dimethyl5(((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)amino)benzene13dicarboxylate
InChI=1SC23H17N3O6Sc12922(27)14515(23(28)302)717(614)251016(924)212618(113321)13341920(813)32123119h38101125H12H212H3b1610
MFCD03671833
N#CC(=CNc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000009806096
ZINC9806096
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