Vitas-M small molecule compound

1-[4-(benzyloxy)-3-methoxybenzyl]azepane

Catalog ID
STK111122
SMILES COc1cc(ccc1OCc1ccccc1)CN1CCCCCC1

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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 C21H27NO2 MW 325.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO2/c1-23-21-15-19(16-22-13-7-2-3-8-14-22)11-12-20(21)24-17-18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3
InChIKey
KUIWZXUBBSVGAL-UHFFFAOYSA-N
Synonyms
415924-01-5
1((3METHOXY4PHENYLMETHOXYPHENYL)METHYL)AZEPANE
1(4(BENZYLOXY)3METHOXYBENZYL)AZEPANE
415924015
COC1=C(C=CC(=C1)CN2CCCCCC2)OCC3=CC=CC=C3
InChI=1SC21H27NO2c123211519(16221372381422)111220(21)24171895461018h4691215H237813141617H21H3
MFCD02105751
ZINC000000277697
ZINC277697

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Available files

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