Vitas-M small molecule compound
[4-(azepan-1-yl)-3-nitrophenyl](4-nitrophenyl)methanone
Catalog ID
STK728153
SMILES [O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)c1ccc(cc1)[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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c23-19(14-5-8-16(9-6-14)21(24)25)15-7-10-17(18(13-15)22(26)27)20-11-3-1-2-4-12-20/h5-10,13H,1-4,11-12H2InChIKey
WRQMEPRYCRUMPW-UHFFFAOYSA-NSynonyms
381709-63-3(4(azepan1yl)3nitrophenyl)(4nitrophenyl)methanone
(4AZEPAN1YL3NITROPHENYL)(4NITROPHENYL)METHANONE
(O)(N+)(=O)c1cc(ccc1N1CCCCCC1)C(=O)c1ccc(cc1)(N+)(=O)(O)
381709633
4AZAPERHYDROEPINYL3NITROPHENYL4NITROPHENYLKETONE
C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H19N3O5c2319(145816(9614)21(24)25)1571017(18(1315)22(26)27)201131241220h51013H141112H2
MFCD02997852
ZINC000004331055
ZINC04331055
ZINC4331055
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