Vitas-M small molecule compound
azepan-1-yl(2,4-dinitrophenyl)methanone
Catalog ID
STK427709
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[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 C13H15N3O5 MW 293.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5/c17-13(14-7-3-1-2-4-8-14)11-6-5-10(15(18)19)9-12(11)16(20)21/h5-6,9H,1-4,7-8H2InChIKey
XHADNEUTDNTGJH-UHFFFAOYSA-NSynonyms
331274-29-41(24BISNITROBENZOYL)AZEPANE
331274294
AZAPERHYDROEPINYL24DINITROPHENYLKETONE
azepan1yl(24dinitrophenyl)methanone
C1CCCN(CC1)C(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H15N3O5c1713(1473124814)116510(15(18)19)912(11)16(20)21h569H1478H2
MFCD00585387
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))N1CCCCCC1
ZINC000002068916
ZINC02068916
ZINC2068916
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