Vitas-M small molecule compound
azepan-1-yl(4-nitrophenyl)methanone
Catalog ID
STK414159
SMILES O=C(c1ccc(cc1)[N+](=O)[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 C13H16N2O3 MW 248.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3/c16-13(14-9-3-1-2-4-10-14)11-5-7-12(8-6-11)15(17)18/h5-8H,1-4,9-10H2InChIKey
CBTCPDZOYXPPGT-UHFFFAOYSA-NSynonyms
1(4NITROBENZOYL)AZEPANE
AZAPERHYDROEPINYL4NITROPHENYLKETONE
azepan1yl(4nitrophenyl)methanone
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H16N2O3c1613(14931241014)115712(8611)15(17)18h58H14910H2
MFCD00548572
O=C(c1ccc(cc1)(N+)(=O)(O))N1CCCCCC1
ZINC000000293406
ZINC00293406
ZINC293406
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