Vitas-M small molecule compound

[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone

Catalog ID
STK430823
SMILES FC(C1(O)CC(=NN1C(=O)c1ccc(cc1)[N+](=O)[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 C12H9F4N3O4 MW 335.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F4N3O4/c13-9(14)8-5-12(21,11(15)16)18(17-8)10(20)6-1-3-7(4-2-6)19(22)23/h1-4,9,11,21H,5H2
InChIKey
HGUYJQBRCXGIBZ-UHFFFAOYSA-N
Synonyms

(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(4nitrophenyl)methanone
(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)(4NITROPHENYL)METHANONE
35BIS(DIFLUOROMETHYL)5HYDROXY(2PYRAZOLINYL)4NITROPHENYLKETONE
C1C(=NN(C1(C(F)F)O)C(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(F)F
FC(C1(O)CC(=NN1C(=O)c1ccc(cc1)(N+)(=O)(O))C(F)F)F
InChI=1SC12H9F4N3O4c139(14)8512(2111(15)16)18(178)10(20)6137(426)19(22)23h1491121H5H2
MFCD03465804
ZINC000008378772
ZINC000008378773

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Available files

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