Vitas-M small molecule compound

3-benzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane

Catalog ID
STL297624
SMILES [O-][N+](=O)C12CNCN(C2)CN(C1)Cc1ccccc1

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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 C13H18N4O2 MW 262.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O2/c18-17(19)13-7-14-10-16(9-13)11-15(8-13)6-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKey
KJRQMNUUZYLTDG-UHFFFAOYSA-N
Synonyms
93850-37-4
(1S5S)3benzyl5nitro137triazabicyclo(331)nonane
(O)(N+)(=O)C12CNCN(C2)CN(C1)Cc1ccccc1
3benzyl5nitro137triazabicyclo(331)nonane
93850374
C1C2(CN(CN1)CN(C2)CC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC13H18N4O2c1817(19)137141016(913)1115(813)6124213512h1514H611H2
MFCD00425992
ZINC000019325572

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Available files

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