Vitas-M small molecule compound
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-methyl-3-nitrophenyl)methanone
Catalog ID
STK453416
SMILES O=C(n1nc(c(c1C)Br)C)c1ccc(c(c1)[N+](=O)[O-])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 C13H12BrN3O3 MW 338.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O3/c1-7-4-5-10(6-11(7)17(19)20)13(18)16-9(3)12(14)8(2)15-16/h4-6H,1-3H3InChIKey
HHACLPFFSVXFRT-UHFFFAOYSA-NSynonyms
(4bromo35dimethyl1Hpyrazol1yl)(4methyl3nitrophenyl)methanone
(4bromo35dimethylpyrazol1yl)(4methyl3nitrophenyl)methanone
4BROMO1(3NITRO4METHYLBENZOYL)35DIMETHYL1HPYRAZOLE
4BROMO35DIMETHYLPYRAZOLYL4METHYL3NITROPHENYLKETONE
CC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)Br)C)(N+)(=O)(O)
InChI=1SC13H12BrN3O3c174510(611(7)17(19)20)13(18)169(3)12(14)8(2)1516h46H13H3
MFCD02608168
O=C(n1nc(c(c1C)Br)C)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000001001978
ZINC01001978
ZINC1001978
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