Vitas-M small molecule compound

(4E)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL506256
SMILES COc1cc(ccc1c1ccc(o1)/C=C\1/C(=O)N(N=C1C(F)(F)F)c1ccccc1)[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 C22H14F3N3O5 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14F3N3O5/c1-32-19-11-14(28(30)31)7-9-16(19)18-10-8-15(33-18)12-17-20(22(23,24)25)26-27(21(17)29)13-5-3-2-4-6-13/h2-12H,1H3/b17-12+
InChIKey
BIRAODQWKNGEOB-SFQUDFHCSA-N
Synonyms

(4~(E))4((5(2methoxy4nitrophenyl)furan2yl)methylidene)2phenyl5(trifluoromethyl)pyrazol3one
(4E)4((5(2methoxy4nitrophenyl)furan2yl)methylidene)2phenyl5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)4((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)2PHENYL5(TRIFLUOROMETHYL)PYRAZOL3ONE
1325095
InChI=1SC22H14F3N3O5c132191114(28(30)31)7916(19)1810815(3318)121720(22(2324)25)2627(21(17)29)135324613h212H1H3b1712+
MFCD04083488
ZINC000033314388

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Available files

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