Vitas-M small molecule compound
2-({(2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl}amino)benzoic acid
Catalog ID
STK077553
SMILES N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1ccccc1C(=O)O
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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 C18H11F3N2O3 MW 360.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11F3N2O3/c19-18(20,21)13-5-3-4-11(9-13)8-12(10-22)16(24)23-15-7-2-1-6-14(15)17(25)26/h1-9H,(H,23,24)(H,25,26)/b12-8+InChIKey
PQBCAENWDWSICB-XYOKQWHBSA-NSynonyms
2(((2E)2CYANO3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENOYL)AMINO)BENZOICACID
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N
InChI=1SC18H11F3N2O3c1918(2021)1353411(913)812(1022)16(24)2315721614(15)17(25)26h19H(H2324)(H2526)b128+
MFCD03033180
N#CC(=Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C(=O)O
STK077553
ZINC000004670348
ZINC4670348
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