Vitas-M small molecule compound

5-(azepan-1-yl)-3-methyl-5-oxopentanoic acid

Catalog ID
STK128735
SMILES CC(CC(=O)O)CC(=O)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 C12H21NO3 MW 227.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H21NO3/c1-10(9-12(15)16)8-11(14)13-6-4-2-3-5-7-13/h10H,2-9H2,1H3,(H,15,16)
InChIKey
IDOJCBYGDJZXFQ-UHFFFAOYSA-N
Synonyms
755007-72-8
5(1AZEPANYL)3METHYL5OXOPENTANOICACID
5(AZEPAN1YL)3METHYL5OXOPENTANOICACID
755007728
CC(CC(=O)N1CCCCCC1)CC(=O)O
InChI=1SC12H21NO3c110(912(15)16)811(14)1364235713h10H29H21H3(H1516)
MFCD06066307
ZINC000004700527
ZINC000004700528

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Available files

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