Vitas-M small molecule compound

dimethyl 4,4'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)bis(4-oxobutanoate)

Catalog ID
STL297436
SMILES COC(=O)CCC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)CCC(=O)OC

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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 C16H24N4O8 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O8/c1-27-14(23)5-3-12(21)18-8-16(20(25)26)7-17(10-18)11-19(9-16)13(22)4-6-15(24)28-2/h3-11H2,1-2H3
InChIKey
AMLMRGWKPTWFIL-UHFFFAOYSA-N
Synonyms
162710-47-6
162710476
COC(=O)CCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCC(=O)OC)(N+)(=O)(O)
COC(=O)CCC(=O)N1CN2CN(CC(C1)(C2)(N+)(=O)(O))C(=O)CCC(=O)OC
dimethyl44((1r5r)5nitro137triazabicyclo(331)nonane37diyl)bis(4oxobutanoate)
dimethyl44(5nitro137triazabicyclo(331)nonane37diyl)bis(4oxobutanoate)
InChI=1SC16H24N4O8c12714(23)5312(21)18816(20(25)26)717(1018)1119(916)13(22)4615(24)282h311H212H3
METHYL4(3(4METHOXY4OXOBUTANOYL)5NITRO137TRIAZABICYCLO(331)NONAN7YL)4OXOBUTANOATE
MFCD00349087
ZINC000020065878
ZINC20065878

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Available files

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