Vitas-M small molecule compound

1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-1H-pyrazol-1-yl)propan-1-one

Catalog ID
STK303208
SMILES O=C(N1N=C(CC1(O)C(F)F)C(F)F)C(n1nccc1C)C

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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 C12H14F4N4O2 MW 322.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F4N4O2/c1-6-3-4-17-19(6)7(2)10(21)20-12(22,11(15)16)5-8(18-20)9(13)14/h3-4,7,9,11,22H,5H2,1-2H3
InChIKey
LXKGVJUYALHOGV-UHFFFAOYSA-N
Synonyms
1005668-78-9
1(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2(5methyl1Hpyrazol1yl)propan1one
1(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)2(5methylpyrazol1yl)propan1one
1005668789
CC1=CC=NN1C(C)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O
InChI=1SC12H14F4N4O2c16341719(6)7(2)10(21)2012(2211(15)16)58(1820)9(13)14h34791122H5H212H3
MFCD04053972
ZINC000006790008
ZINC000006790030

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.