Vitas-M small molecule compound
(4E)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL506255
SMILES O=C1N(N=C(/C/1=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])C(F)(F)F)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 C21H12F3N3O4 MW 427.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12F3N3O4/c22-21(23,24)19-16(20(28)26(25-19)13-6-2-1-3-7-13)12-14-10-11-18(31-14)15-8-4-5-9-17(15)27(29)30/h1-12H/b16-12+InChIKey
JVGCBGLXGNDMCT-FOWTUZBSSA-NSynonyms
(4~(E))4((5(2nitrophenyl)furan2yl)methylidene)2phenyl5(trifluoromethyl)pyrazol3one
(4E)4((5(2nitrophenyl)furan2yl)methylidene)2phenyl5(trifluoromethyl)24dihydro3Hpyrazol3one
21212559
InChI=1SC21H12F3N3O4c2221(2324)1916(20(28)26(2519)136213713)1214101118(3114)15845917(15)27(29)30h112Hb1612+
MFCD04083486
ZINC000033441881
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