Vitas-M small molecule compound
dimethyl 5-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK803826
SMILES N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)F
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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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-29-21(27)14-7-15(22(28)30-2)9-18(8-14)25-11-16(10-24)20-26-19(12-31-20)13-3-5-17(23)6-4-13/h3-9,11-12,25H,1-2H3/b16-11-InChIKey
KMFTYJPDQNQFJW-WJDWOHSUSA-NSynonyms
797799-69-0(Z)dimethyl5((2cyano2(4(4fluorophenyl)thiazol2yl)vinyl)amino)isophthalate
797799690
COC(=O)C1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)OC
dimethyl5(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)benzene13dicarboxylate
InChI=1SC22H16FN3O4Sc12921(27)14715(22(28)302)918(814)251116(1024)202619(123120)133517(23)6413h39111225H12H3b1611
MFCD03668698
N#CC(=CNc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1ccc(cc1)F
ZINC000009806074
ZINC9806074
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