Vitas-M small molecule compound

azepan-1-yl(4-bromo-1-methyl-1H-pyrazol-3-yl)methanone

Catalog ID
STL390255
SMILES O=C(c1nn(cc1Br)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 C11H16BrN3O MW 286.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16BrN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3
InChIKey
BBGXJFKLHRTCKB-UHFFFAOYSA-N
Synonyms
512826-83-4
1((4BROMO1METHYL1HPYRAZOL3YL)CARBONYL)AZEPANE
512826834
AZAPERHYDROEPINYL4BROMO1METHYLPYRAZOL3YLKETONE
azepan1yl(4bromo1methyl1Hpyrazol3yl)methanone
AZEPAN1YL(4BROMO1METHYLPYRAZOL3YL)METHANONE
CN1C=C(C(=N1)C(=O)N2CCCCCC2)Br
InChI=1SC11H16BrN3Oc11489(12)10(1314)11(16)1564235715h8H27H21H3
MFCD03757070
ZINC000000483027
ZINC00483027
ZINC483027

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Available files

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