Vitas-M small molecule compound
2-[(1E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK362082
SMILES N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1cc(ccc1Cl)C(F)(F)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 C24H16ClF3N2O4S MW 520.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClF3N2O4S/c1-15-6-9-19(10-7-15)35(32,33)34-22-5-3-2-4-16(22)12-17(14-29)23(31)30-21-13-18(24(26,27)28)8-11-20(21)25/h2-13H,1H3,(H,30,31)/b17-12+InChIKey
KDGCQNWWMCLRKY-SFQUDFHCSA-NSynonyms
345244-33-9(2((E)3(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2CYANO3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
2((1E)3((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)2CYANO3OXOPROP1EN1YL)PHENYL4METHYLBENZENESULFONATE
345244339
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC24H16ClF3N2O4Sc1156919(10715)35(3233)3422532416(22)1217(1429)23(31)30211318(24(2627)28)81120(21)25h213H1H3(H3031)b1712+
MFCD02915018
N#CC(=Cc1ccccc1OS(=O)(=O)c1ccc(cc1)C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
ZINC000002807660
ZINC2807660
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