Vitas-M small molecule compound
(4Z)-4-{[(2-ethylphenyl)amino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK755857
SMILES CCc1ccccc1N/C=C/1\C(=O)N(N=C1C(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 C19H15F3N4O3 MW 404.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F3N4O3/c1-2-12-5-3-4-6-16(12)23-11-15-17(19(20,21)22)24-25(18(15)27)13-7-9-14(10-8-13)26(28)29/h3-11,23H,2H2,1H3/b15-11-InChIKey
NQKMSAMOKOBJJM-PTNGSMBKSA-NSynonyms
(4Z)4(((2ethylphenyl)amino)methylidene)2(4nitrophenyl)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)4((2ETHYLANILINO)METHYLIDENE)2(4NITROPHENYL)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CCC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(F)(F)F
CCc1ccccc1NC=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H15F3N4O3c1212534616(12)23111517(19(2021)22)2425(18(15)27)137914(10813)26(28)29h31123H2H21H3b1511
MFCD01113819
ZINC000004181415
ZINC04181415
ZINC4181415
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