Vitas-M small molecule compound

[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl}methanone

Catalog ID
STL178451
SMILES O=C(N1N=CCC1(O)C(F)(F)F)c1ccc(o1)COc1ccc(c(c1)C)[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 C17H14F3N3O6 MW 413.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N3O6/c1-10-8-11(2-4-13(10)23(26)27)28-9-12-3-5-14(29-12)15(24)22-16(25,6-7-21-22)17(18,19)20/h2-5,7-8,25H,6,9H2,1H3
InChIKey
MZFHHWYWDYEXHK-UHFFFAOYSA-N
Synonyms
832727-72-7
(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)(5((3methyl4nitrophenoxy)methyl)furan2yl)methanone
(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)(5((3methyl4nitrophenoxy)methyl)furan2yl)methanone
832727727
CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)N3C(CC=N3)(C(F)(F)F)O)(N+)(=O)(O)
InChI=1SC17H14F3N3O6c110811(2413(10)23(26)27)289123514(2912)15(24)2216(25672122)17(1819)20h257825H69H21H3
MFCD04139934
O=C(N1N=CCC1(O)C(F)(F)F)c1ccc(o1)COc1ccc(c(c1)C)(N+)(=O)(O)
ZINC000006922164
ZINC000006922165

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Available files

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