Vitas-M small molecule compound
4-[(4Z)-4-{4-[(2-chloroethyl)(methyl)amino]benzylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL378486
SMILES ClCCN(c1ccc(cc1)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O)C
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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 C21H17ClF3N3O3 MW 451.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClF3N3O3/c1-27(11-10-22)15-6-2-13(3-7-15)12-17-18(21(23,24)25)26-28(19(17)29)16-8-4-14(5-9-16)20(30)31/h2-9,12H,10-11H2,1H3,(H,30,31)/b17-12-InChIKey
RDRXRNSLZKODBH-ATVHPVEESA-NSynonyms
4((4Z)4((4(2CHLOROETHYL(METHYL)AMINO)PHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
4((4Z)4(4((2chloroethyl)(methyl)amino)benzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
ClCCN(c1ccc(cc1)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O)C
CN(CCCl)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F
InChI=1SC21H17ClF3N3O3c127(111022)156213(3715)121718(21(2324)25)2628(19(17)29)168414(5916)20(30)31h2912H1011H21H3(H3031)b1712
MFCD03307248
ZINC000003767551
ZINC3767551
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