Vitas-M small molecule compound

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

Catalog ID
STK305488
SMILES O=C(N1N=C(CC1(O)C(F)F)C(F)F)Cn1nc(c(c1C)Br)[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 C11H10BrF4N5O4 MW 432.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10BrF4N5O4/c1-4-7(12)9(21(24)25)18-19(4)3-6(22)20-11(23,10(15)16)2-5(17-20)8(13)14/h8,10,23H,2-3H2,1H3
InChIKey
OZIJCBTUIPYWIK-UHFFFAOYSA-N
Synonyms
1005697-02-8
1(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2(4bromo5methyl3nitro1Hpyrazol1yl)ethanone
1(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)2(4BROMO5METHYL3NITROPYRAZOL1YL)ETHANONE
1005697028
CC1=C(C(=NN1CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)(N+)(=O)(O))Br
InChI=1SC11H10BrF4N5O4c147(12)9(21(24)25)1819(4)36(22)2011(2310(15)16)25(1720)8(13)14h81023H23H21H3
MFCD04050820
O=C(N1N=C(CC1(O)C(F)F)C(F)F)Cn1nc(c(c1C)Br)(N+)(=O)(O)
ZINC000013959639
ZINC000013959640

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Available files

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