Vitas-M small molecule compound
1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
Catalog ID
STK462053
SMILES O=C(N1CCCCCC1)COc1ccc(c(c1)C)[N+](=O)[O-]
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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 C15H20N2O4 MW 292.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O4/c1-12-10-13(6-7-14(12)17(19)20)21-11-15(18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3InChIKey
LABZJLLLVUEJIV-UHFFFAOYSA-NSynonyms
1((3METHYL4NITROPHENOXY)ACETYL)AZEPANE
1(azepan1yl)2(3methyl4nitrophenoxy)ethanone
1AZAPERHYDROEPINYL2(3METHYL4NITROPHENOXY)ETHAN1ONE
CC1=C(C=CC(=C1)OCC(=O)N2CCCCCC2)(N+)(=O)(O)
InChI=1SC15H20N2O4c1121013(6714(12)17(19)20)211115(18)1684235916h6710H258911H21H3
MFCD06004554
O=C(N1CCCCCC1)COc1ccc(c(c1)C)(N+)(=O)(O)
ZINC000001054562
ZINC01054562
ZINC1054562
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