Vitas-M small molecule compound

2,2,2-trifluoro-1-[5-hydroxy-3-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Catalog ID
STK754386
SMILES CC1=NN(C(C1)(O)c1cccc(c1)[N+](=O)[O-])C(=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 C12H10F3N3O4 MW 317.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F3N3O4/c1-7-6-11(20,17(16-7)10(19)12(13,14)15)8-3-2-4-9(5-8)18(21)22/h2-5,20H,6H2,1H3
InChIKey
RWOOLULWEDILJC-UHFFFAOYSA-N
Synonyms

222TRIFLUORO1(5HYDROXY3METHYL5(3NITROPHENYL)45DIHYDRO1HPYRAZOL1YL)ETHANONE
222TRIFLUORO1(5HYDROXY3METHYL5(3NITROPHENYL)4HPYRAZOL1YL)ETHANONE
CC1=NN(C(C1)(C2=CC(=CC=C2)(N+)(=O)(O))O)C(=O)C(F)(F)F
CC1=NN(C(C1)(O)c1cccc(c1)(N+)(=O)(O))C(=O)C(F)(F)F
InChI=1SC12H10F3N3O4c17611(2017(167)10(19)12(1314)15)83249(58)18(21)22h2520H6H21H3
MFCD00825652
ZINC000000301913
ZINC000000301914

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Available files

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