Vitas-M small molecule compound
(2E)-4-{[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK694578
SMILES COc1ccc(cc1)c1c(NC(=O)/C=C/C(=O)O)n(nc1C(F)(F)F)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 C16H14F3N3O4 MW 369.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3O4/c1-22-15(20-11(23)7-8-12(24)25)13(14(21-22)16(17,18)19)9-3-5-10(26-2)6-4-9/h3-8H,1-2H3,(H,20,23)(H,24,25)/b8-7+InChIKey
QUKQQIGKTLCMGW-BQYQJAHWSA-NSynonyms
(2E)4((4(4methoxyphenyl)1methyl3(trifluoromethyl)1Hpyrazol5yl)amino)4oxobut2enoicacid
(E)4((4(4methoxyphenyl)2methyl5(trifluoromethyl)pyrazol3yl)amino)4oxobut2enoicacid
CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)OC)NC(=O)C=CC(=O)O
COc1ccc(cc1)c1c(NC(=O)C=CC(=O)O)n(nc1C(F)(F)F)C
InChI=1SC16H14F3N3O4c12215(2011(23)7812(24)25)13(14(2122)16(1718)19)93510(262)649h38H12H3(H2023)(H2425)b87+
MFCD12034755
ZINC000035324956
ZINC35324956
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