Vitas-M small molecule compound
(4Z)-4-{[(3-chloro-2-methylphenyl)amino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK755917
SMILES O=C1N(N=C(/C/1=C/Nc1cccc(c1C)Cl)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
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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 C18H12ClF3N4O3 MW 424.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF3N4O3/c1-10-14(19)3-2-4-15(10)23-9-13-16(18(20,21)22)24-25(17(13)27)11-5-7-12(8-6-11)26(28)29/h2-9,23H,1H3/b13-9-InChIKey
WBMFXCIZGNTSKO-LCYFTJDESA-NSynonyms
(4Z)4(((3chloro2methylphenyl)amino)methylidene)2(4nitrophenyl)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)4((3CHLORO2METHYLANILINO)METHYLIDENE)2(4NITROPHENYL)5(TRIFLUOROMETHYL)PYRAZOL3ONE
4((3CHLORO2METHYLANILINO)METHYLENE)2(4NITROPHENYL)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=CC=C1Cl)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(F)(F)F
InChI=1SC18H12ClF3N4O3c11014(19)32415(10)2391316(18(2021)22)2425(17(13)27)115712(8611)26(28)29h2923H1H3b139
MFCD01240208
O=C1N(N=C(C1=CNc1cccc(c1C)Cl)C(F)(F)F)c1ccc(cc1)(N+)(=O)(O)
ZINC000100057374
ZINC100057374
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