Vitas-M small molecule compound

1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone

Catalog ID
STK302239
SMILES FC(C1(O)CC(=NN1C(=O)COc1ccc(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 C13H11F4N3O5 MW 365.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F4N3O5/c14-11(15)9-5-13(22,12(16)17)19(18-9)10(21)6-25-8-3-1-7(2-4-8)20(23)24/h1-4,11-12,22H,5-6H2
InChIKey
SJHILHFMWAVDLS-UHFFFAOYSA-N
Synonyms
438235-62-2
1(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2(4nitrophenoxy)ethanone
1(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)2(4NITROPHENOXY)ETHANONE
35BIS(DIFLUOROMETHYL)1((4NITROPHENOXY)ACETYL)45DIHYDRO1HPYRAZOL5OL
438235622
C1C(=NN(C1(C(F)F)O)C(=O)COC2=CC=C(C=C2)(N+)(=O)(O))C(F)F
FC(C1(O)CC(=NN1C(=O)COc1ccc(cc1)(N+)(=O)(O))C(F)F)F
InChI=1SC13H11F4N3O5c1411(15)9513(2212(16)17)19(189)10(21)6258317(248)20(23)24h14111222H56H2
MFCD03467895
ZINC000000654148
ZINC000000654151

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Available files

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