Vitas-M small molecule compound

(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone

Catalog ID
STK773564
SMILES COc1ccc(cc1)C(=O)n1nc(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 C13H13BrN2O2 MW 309.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
InChIKey
NLSJGZBQMCEPIO-UHFFFAOYSA-N
Synonyms

(4bromo35dimethyl1Hpyrazol1yl)(4methoxyphenyl)methanone
(4BROMO35DIMETHYLPYRAZOL1YL)(4METHOXYPHENYL)METHANONE
4BROMO1((4METHOXYPHENYL)CARBONYL)35DIMETHYL1HPYRAZOLE
4BROMO35DIMETHYLPYRAZOLYL4METHOXYPHENYLKETONE
CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)OC)C)Br
InChI=1SC13H13BrN2O2c1812(14)9(2)16(158)13(17)104611(183)7510h47H13H3
MFCD03855097
NBENZOYLPYRAZOLEDERIV31
ZINC000000110635
ZINC00110635
ZINC110635

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Available files

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