Vitas-M small molecule compound

1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one

Catalog ID
STK349876
SMILES CC(=O)Cn1nc(c(c1C)Br)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 C8H11BrN2O MW 231.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h4H2,1-3H3
InChIKey
DJBKJULCIPAZCS-UHFFFAOYSA-N
Synonyms
1004017-87-1
1(4BROMO35DIMETHYL1HPYRAZOL1YL)ACETONE
1(4BROMO35DIMETHYL1HPYRAZOL1YL)ACETONE95
1(4bromo35dimethyl1Hpyrazol1yl)propan2one
1(4BROMO35DIMETHYLPYRAZOL1YL)PROPAN2ONE
1(4BROMO35DIMETHYLPYRAZOLYL)ACETONE
1004017871
CC1=C(C(=NN1CC(=O)C)C)Br
InChI=1SC8H11BrN2Oc15(12)4117(3)8(9)6(2)1011h4H213H3
MFCD03885074
ZINC000002518452
ZINC02518452
ZINC2518452

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Available files

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