Vitas-M small molecule compound

1-(5-chloro-2,4-dinitrophenyl)azepane

Catalog ID
STK834791
SMILES [O-][N+](=O)c1cc([N+](=O)[O-])c(cc1N1CCCCCC1)Cl

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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 C12H14ClN3O4 MW 299.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClN3O4/c13-9-7-11(14-5-3-1-2-4-6-14)12(16(19)20)8-10(9)15(17)18/h7-8H,1-6H2
InChIKey
WAGTVSNZJBOBOS-UHFFFAOYSA-N
Synonyms
372977-09-8
(O)(N+)(=O)c1cc((N+)(=O)(O))c(cc1N1CCCCCC1)Cl
1(5chloro24dinitrophenyl)azepane
372977098
C1CCCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))(N+)(=O)(O))Cl
InChI=1SC12H14ClN3O4c139711(1453124614)12(16(19)20)810(9)15(17)18h78H16H2
MFCD01306956
ZINC000003880487
ZINC03880487
ZINC3880487

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Available files

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