Vitas-M small molecule compound

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone

Catalog ID
STK780062
SMILES Cc1nn(c(c1)C)C(=O)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 C11H12BrN5O3 MW 342.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12BrN5O3/c1-6-4-7(2)16(13-6)9(18)5-15-8(3)10(12)11(14-15)17(19)20/h4H,5H2,1-3H3
InChIKey
AQILDQNKYXCURF-UHFFFAOYSA-N
Synonyms

2(4bromo5methyl3nitro1Hpyrazol1yl)1(35dimethyl1Hpyrazol1yl)ethanone
2(4BROMO5METHYL3NITROPYRAZOL1YL)1(35DIMETHYLPYRAZOL1YL)ETHANONE
4BROMO1(2(35DIMETHYL1HPYRAZOL1YL)2OXOETHYL)5METHYL3NITRO1HPYRAZOLE
CC1=CC(=NN1C(=O)CN2C(=C(C(=N2)(N+)(=O)(O))Br)C)C
Cc1nn(c(c1)C)C(=O)Cn1nc(c(c1C)Br)(N+)(=O)(O)
InChI=1SC11H12BrN5O3c1647(2)16(136)9(18)5158(3)10(12)11(1415)17(19)20h4H5H213H3
MFCD05859681
ZINC000001430677
ZINC01430677
ZINC1430677

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Available files

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