Vitas-M small molecule compound

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

Catalog ID
STK422079
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)[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 C12H10F3N3O4 MW 317.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F3N3O4/c1-7-6-11(20,12(13,14)15)17(16-7)10(19)8-3-2-4-9(5-8)18(21)22/h2-5,20H,6H2,1H3
InChIKey
YKADATANCUZQMD-UHFFFAOYSA-N
Synonyms

(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(3nitrophenyl)methanone
(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(3NITROPHENYL)METHANONE
5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)3NITROPHENYLKETONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC12H10F3N3O4c17611(2012(1314)15)17(167)10(19)83249(58)18(21)22h2520H6H21H3
MFCD00510792
ZINC000000108299
ZINC000000108307

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Available files

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