Vitas-M small molecule compound
methyl [(4E)-5-oxo-1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STL389406
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/Nc1ccccc1C(F)(F)F)\C)c1ccccc1
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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 C21H18F3N3O3 MW 417.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O3/c1-13(25-16-11-7-6-10-15(16)21(22,23)24)19-17(12-18(28)30-2)26-27(20(19)29)14-8-4-3-5-9-14/h3-11,25H,12H2,1-2H3/b19-13+InChIKey
MPBBTKDDWBGJDZ-CPNJWEJPSA-NSynonyms
1374510-78-71374510787
CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3=CC=CC=C3C(F)(F)F
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccccc1C(F)(F)F)C)c1ccccc1
InChI=1SC21H18F3N3O3c113(251611761015(16)21(2223)24)1917(1218(28)302)2627(20(19)29)148435914h31125H12H212H3b1913+
methyl((4E)5oxo1phenyl4(1((2(trifluoromethyl)phenyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
methyl2((4E)5oxo1phenyl4(1(2(trifluoromethyl)anilino)ethylidene)pyrazol3yl)acetate
MFCD22374892
ZINC000100161569
ZINC100161569
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