Vitas-M small molecule compound
3-{3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK396806
SMILES N#C/C(=C/c1cc(n(c1C)c1cccc(c1)C(=O)O)C)/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 C22H17FN2O2 MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O2/c1-14-10-18(11-19(13-24)16-6-8-20(23)9-7-16)15(2)25(14)21-5-3-4-17(12-21)22(26)27/h3-12H,1-2H3,(H,26,27)/b19-11-InChIKey
WXIJNPIURLYUNM-ODLFYWEKSA-NSynonyms
3(3((1E)2CYANO2(4FLUOROPHENYL)VINYL)25DIMETHYLPYRROLYL)BENZOICACID
3(3((E)2cyano2(4fluorophenyl)ethenyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((E)2cyano2(4fluorophenyl)ethenyl)25dimethylpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C3=CC=C(C=C3)F
InChI=1SC22H17FN2O2c1141018(1119(1324)166820(23)9716)15(2)25(14)2153417(1221)22(26)27h312H12H3(H2627)b1911
MFCD02193843
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C)c1ccc(cc1)F
ZINC000004083010
ZINC4083010
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