Vitas-M small molecule compound

1-(azepan-1-yl)-2-[(1-bromonaphthalen-2-yl)oxy]ethanone

Catalog ID
STK058037
SMILES O=C(N1CCCCCC1)COc1ccc2c(c1Br)cccc2

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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 C18H20BrNO2 MW 362.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrNO2/c19-18-15-8-4-3-7-14(15)9-10-16(18)22-13-17(21)20-11-5-1-2-6-12-20/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey
WDLJWZCKRAOUAY-UHFFFAOYSA-N
Synonyms

1(((1BROMO2NAPHTHYL)OXY)ACETYL)AZEPANE
1(AZEPAN1YL)2((1BROMONAPHTHALEN2YL)OXY)ETHANONE
1(AZEPAN1YL)2(1BROMONAPHTHALEN2YL)OXYETHANONE
1AZAPERHYDROEPINYL2(1BROMO(2NAPHTHYLOXY))ETHAN1ONE
C1CCCN(CC1)C(=O)COC2=C(C3=CC=CC=C3C=C2)Br
InChI=1SC18H20BrNO2c191815843714(15)91016(18)221317(21)201151261220h34710H12561113H2
MFCD02120211
O=C(N1CCCCCC1)COc1ccc2c(c1Br)cccc2
STK058037
ZINC000000671150
ZINC00671150
ZINC671150

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Available files

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