Vitas-M small molecule compound
1-(4-nitrobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK370152
SMILES [O-][N+](=O)c1ccc(cc1)C[N+]12CN3CN(C2)CN(C1)C3
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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 C13H18N5O2 MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N5O2/c19-17(20)13-3-1-12(2-4-13)5-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-4H,5-11H2/q+1InChIKey
YQEYXAVWOGJZIY-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C(N+)12CN3CN(C2)CN(C1)C3
1(4nitrobenzyl)357triaza1azoniatricyclo(3311~37~)decane
C1N2CN3CN1C(N+)(C2)(C3)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC13H18N5O2c1917(20)133112(2413)518914615(1018)816(714)1118h14H511H2q+1
MFCD00423686
ZINC000019321736
ZINC19321736
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