Vitas-M small molecule compound

[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{1-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}methanone

Catalog ID
STK306091
SMILES FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)Cn1nc(c(c1C)[N+](=O)[O-])C)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 C15H15F4N7O4 MW 433.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F4N7O4/c1-7-11(26(29)30)8(2)24(20-7)6-23-4-3-9(21-23)13(27)25-15(28,14(18)19)5-10(22-25)12(16)17/h3-4,12,14,28H,5-6H2,1-2H3
InChIKey
MBKHMKDJUWQKBY-UHFFFAOYSA-N
Synonyms
1005637-19-3
(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)(1((35dimethyl4nitro1Hpyrazol1yl)methyl)1Hpyrazol3yl)methanone
(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)(1((35dimethyl4nitropyrazol1yl)methyl)pyrazol3yl)methanone
1005637193
CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O)C)(N+)(=O)(O)
FC(C1=NN(C(C1)(O)C(F)F)C(=O)c1ccn(n1)Cn1nc(c(c1C)(N+)(=O)(O))C)F
InChI=1SC15H15F4N7O4c1711(26(29)30)8(2)24(207)623439(2123)13(27)2515(2814(18)19)510(2225)12(16)17h34121428H56H212H3
MFCD04046250
ZINC000013959761
ZINC000013959762

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Available files

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