Vitas-M small molecule compound

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

Catalog ID
STL397087
SMILES Cc1nn(c(c1C(=O)N1CCCCCC1)C)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 C13H21N3O MW 235.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21N3O/c1-10-12(11(2)15(3)14-10)13(17)16-8-6-4-5-7-9-16/h4-9H2,1-3H3
InChIKey
VPFYUMVBNNYCPW-UHFFFAOYSA-N
Synonyms
1005683-46-4
1005683464
AZAPERHYDROEPINYL135TRIMETHYLPYRAZOL4YLKETONE
AZEPAN1YL(135TRIMETHYL1HPYRAZOL4YL)METHANONE
AZEPAN1YL(135TRIMETHYLPYRAZOL4YL)METHANONE
CC1=C(C(=NN1C)C)C(=O)N2CCCCCC2
InChI=1SC13H21N3Oc11012(11(2)15(3)1410)13(17)1686457916h49H213H3
MFCD04051458
ZINC000002781736
ZINC02781736
ZINC2781736

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Available files

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