Vitas-M small molecule compound

6,6-dimethyl-2-(naphthalen-1-yl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

Catalog ID
STK555284
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccc2c1cccc2)[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 C20H22N4O4 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4/c1-18(2)19(23(25)26)10-21-12-20(18,24(27)28)13-22(11-19)17(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17H,10-13H2,1-2H3
InChIKey
NCXIGJJEHSWJQC-UHFFFAOYSA-N
Synonyms
673443-38-4
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccc2c1cccc2)(N+)(=O)(O)
66dimethyl2(naphthalen1yl)57dinitro13diazaadamantane
66dimethyl2(naphthalen1yl)57dinitro13diazatricyclo(3311~37~)decane
673443384
CC1(C2(CN3CC1(CN(C2)C3C4=CC=CC5=CC=CC=C54)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC20H22N4O4c118(2)19(23(25)26)10211220(1824(27)28)1322(1119)17(21)1695714634815(14)16h3917H1013H212H3
MFCD04010134
ZINC000019325238
ZINC19325238

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Available files

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