Vitas-M small molecule compound
4-[(1E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyano-3-oxoprop-1-en-1-yl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK362083
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1)/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 C24H16ClF3N2O5S MW 536.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClF3N2O5S/c1-34-22-12-15(7-10-21(22)35-36(32,33)18-5-3-2-4-6-18)11-16(14-29)23(31)30-20-13-17(24(26,27)28)8-9-19(20)25/h2-13H,1H3,(H,30,31)/b16-11+InChIKey
JQIJMYLGFYGYSP-LFIBNONCSA-NSynonyms
342581-17-3(4((E)3(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2CYANO3OXOPROP1ENYL)2METHOXYPHENYL)BENZENESULFONATE
342581173
4((1E)3((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENYLBENZENESULFONATE
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OS(=O)(=O)C3=CC=CC=C3
InChI=1SC24H16ClF3N2O5Sc134221215(71021(22)3536(3233)185324618)1116(1429)23(31)30201317(24(2627)28)8919(20)25h213H1H3(H3031)b1611+
MFCD02915019
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccccc1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
ZINC000002800991
ZINC2800991
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