Vitas-M small molecule compound

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

Catalog ID
STK317328
SMILES O=C(c1n(C)nc(c1Br)C)N1CCCCCC1

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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 C12H18BrN3O MW 300.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18BrN3O/c1-9-10(13)11(15(2)14-9)12(17)16-7-5-3-4-6-8-16/h3-8H2,1-2H3
InChIKey
PHWSAVIOWZJFBV-UHFFFAOYSA-N
Synonyms
515847-79-7
515847797
azepan1yl(4bromo13dimethyl1Hpyrazol5yl)methanone
AZEPAN1YL(4BROMO25DIMETHYLPYRAZOL3YL)METHANONE
CC1=NN(C(=C1Br)C(=O)N2CCCCCC2)C
InChI=1SC12H18BrN3Oc1910(13)11(15(2)149)12(17)1675346816h38H212H3
MFCD03759063
ZINC000002767704
ZINC02767704
ZINC2767704

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Available files

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