Vitas-M small molecule compound
(4Z)-2-(4-chlorophenyl)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL432528
SMILES Clc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O)C(F)(F)F
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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 C21H11ClF3N3O4 MW 461.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11ClF3N3O4/c22-13-4-6-14(7-5-13)27-20(29)17(19(26-27)21(23,24)25)11-16-8-9-18(32-16)12-2-1-3-15(10-12)28(30)31/h1-11H/b17-11-InChIKey
BRZQCNHPICZYMX-BOPFTXTBSA-NSynonyms
(4Z)2(4chlorophenyl)4((5(3nitrophenyl)furan2yl)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(4CHLOROPHENYL)4((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
C1=CC(=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F
Clc1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O)C(F)(F)F
InChI=1SC21H11ClF3N3O4c22134614(7513)2720(29)17(19(2627)21(2324)25)11168918(3216)1221315(1012)28(30)31h111Hb1711
MFCD02909426
ZINC000016156573
ZINC16156573
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