Vitas-M small molecule compound

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

Catalog ID
STK306112
SMILES FC(C1(O)CC(=NN1C(=O)CCn1cnc(n1)[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 C10H10F4N6O4 MW 354.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10F4N6O4/c11-7(12)5-3-10(22,8(13)14)19(16-5)6(21)1-2-18-4-15-9(17-18)20(23)24/h4,7-8,22H,1-3H2
InChIKey
DESNIJCSKKQBAH-UHFFFAOYSA-N
Synonyms
828274-84-6
1(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)3(3nitro1H124triazol1yl)propan1one
1(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)3(3NITRO124TRIAZOL1YL)PROPAN1ONE
828274846
C1C(=NN(C1(C(F)F)O)C(=O)CCN2C=NC(=N2)(N+)(=O)(O))C(F)F
FC(C1(O)CC(=NN1C(=O)CCn1cnc(n1)(N+)(=O)(O))C(F)F)F
InChI=1SC10H10F4N6O4c117(12)5310(228(13)14)19(165)6(21)12184159(1718)20(23)24h47822H13H2
MFCD04046693
ZINC000006830014
ZINC000006830015

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Available files

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