Vitas-M small molecule compound

azepan-1-yl(5,6-dimethyl-1H-benzimidazol-1-yl)methanone

Catalog ID
STK723947
SMILES O=C(n1cnc2c1cc(C)c(c2)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 C16H21N3O MW 271.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O/c1-12-9-14-15(10-13(12)2)19(11-17-14)16(20)18-7-5-3-4-6-8-18/h9-11H,3-8H2,1-2H3
InChIKey
FVAUPYQDNPBLFP-UHFFFAOYSA-N
Synonyms
510734-27-7
(AZEPAN1YL)(56DIMETHYLBENZOIMIDAZOL1YL)METHANONE
510734277
AZAPERHYDROEPINYL56DIMETHYLBENZIMIDAZOLYLKETONE
azepan1yl(56dimethyl1Hbenzimidazol1yl)methanone
AZEPAN1YL(56DIMETHYLBENZIMIDAZOL1YL)METHANONE
AZEPAN1YL(56DIMETHYLBENZOIMIDAZOL1YL)METHANONE
CC1=CC2=C(C=C1C)N(C=N2)C(=O)N3CCCCCC3
InChI=1SC16H21N3Oc11291415(1013(12)2)19(111714)16(20)1875346818h911H38H212H3
MFCD03352158
ZINC000004126959
ZINC04126959
ZINC4126959

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Available files

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