Vitas-M small molecule compound
1-methyl-1-(3-oxo-2,3-diphenylpropyl)azepanium
Catalog ID
STL058955
SMILES O=C(C(c1ccccc1)C[N+]1(C)CCCCCC1)c1ccccc1
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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 C22H28NO MW 322.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28NO/c1-23(16-10-2-3-11-17-23)18-21(19-12-6-4-7-13-19)22(24)20-14-8-5-9-15-20/h4-9,12-15,21H,2-3,10-11,16-18H2,1H3/q+1InChIKey
RIAQEAMJXCWHEK-UHFFFAOYSA-NSynonyms
1methyl1(3oxo23diphenylpropyl)azepan1iumiodide
1methyl1(3oxo23diphenylpropyl)azepanium
3(1METHYLAZEPAN1IUM1YL)12DIPHENYLPROPAN1ONE
C(N+)1(CCCCCC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI=1SC22H28NOc123(161023111723)1821(19126471319)22(24)20148591520h49121521H2310111618H21H3q+1
O=C(C(c1ccccc1)C(N+)1(C)CCCCCC1)c1ccccc1
O=C(C(c1ccccc1)C(N+)1(C)CCCCCC1)c1ccccc1(I)
ZINC000001250796
ZINC000004752027
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