Vitas-M small molecule compound

1-(2,4-dinitrophenyl)azepane

Catalog ID
STK081231
SMILES [O-][N+](=O)c1cc(ccc1N1CCCCCC1)[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 C12H15N3O4 MW 265.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O4/c16-14(17)10-5-6-11(12(9-10)15(18)19)13-7-3-1-2-4-8-13/h5-6,9H,1-4,7-8H2
InChIKey
INKRSLKJVZILKS-UHFFFAOYSA-N
Synonyms
40832-90-4
(24DINITROPHENYL)AZAPERHYDROEPINE
(O)(N+)(=O)c1cc(ccc1N1CCCCCC1)(N+)(=O)(O)
1(24DINITROPHENYL)AZEPANE
1(24DINITROPHENYL)HEXAHYDRO1HAZEPINE
40832904
C1CCCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H15N3O4c1614(17)105611(12(910)15(18)19)1373124813h569H1478H2
MFCD00175567
STK081231
ZINC000004359657
ZINC04359657
ZINC4359657

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.