Vitas-M small molecule compound
1-(2,4,6-trinitrophenyl)azepane
Catalog ID
STK669206
SMILES [O-][N+](=O)c1cc(cc(c1N1CCCCCC1)[N+](=O)[O-])[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 C12H14N4O6 MW 310.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O6/c17-14(18)9-7-10(15(19)20)12(11(8-9)16(21)22)13-5-3-1-2-4-6-13/h7-8H,1-6H2InChIKey
RGMJJLJGWUZISJ-UHFFFAOYSA-NSynonyms
(246TRINITROPHENYL)AZAPERHYDROEPINE
(O)(N+)(=O)c1cc(cc(c1N1CCCCCC1)(N+)(=O)(O))(N+)(=O)(O)
1(246TRINITROPHENYL)AZEPANE
C1CCCN(CC1)C2=C(C=C(C=C2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H14N4O6c1714(18)9710(15(19)20)12(11(89)16(21)22)1353124613h78H16H2
MFCD00733887
ZINC000100029190
ZINC100029190
Check stock
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Check stock on Vitas-MAvailable files
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