Vitas-M small molecule compound

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

Catalog ID
STK036249
SMILES COc1ccc(cc1Br)C(=O)n1nc(cc1C)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/c1-8-6-9(2)16(15-8)13(17)10-4-5-12(18-3)11(14)7-10/h4-7H,1-3H3
InChIKey
LEBYTPACTAJMOT-UHFFFAOYSA-N
Synonyms

(3BROMO4METHOXYPHENYL)(35DIMETHYL1HPYRAZOL1YL)METHANONE
(3BROMO4METHOXYPHENYL)(35DIMETHYLPYRAZOL1YL)METHANONE
1(3BROMO4METHOXYBENZOYL)35DIMETHYL1HPYRAZOLE
CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)OC)Br)C
COc1ccc(cc1Br)C(=O)n1nc(cc1C)C
InChI=1SC13H13BrN2O2c1869(2)16(158)13(17)104512(183)11(14)710h47H13H3
MFCD02604291
STK036249
ZINC000000358393
ZINC00358393
ZINC358393

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Available files

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