Vitas-M small molecule compound
1,1'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)dihexadecan-1-one
Catalog ID
STL054974
SMILES CCCCCCCCCCCCCCCC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)CCCCCCCCCCCCCCC
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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 C38H72N4O4 MW 649.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H72N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)40-32-38(42(45)46)31-39(34-40)35-41(33-38)37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3InChIKey
JAPGGTFYARULBP-UHFFFAOYSA-NSynonyms
1(3HEXADECANOYL5NITRO137TRIAZABICYCLO(331)NONAN7YL)HEXADECAN1ONE
11((1r5r)5nitro137triazabicyclo(331)nonane37diyl)bis(hexadecan1one)
11(5nitro137triazabicyclo(331)nonane37diyl)dihexadecan1one
CCCCCCCCCCCCCCCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCCCCCCCCCCCCCC)(N+)(=O)(O)
CCCCCCCCCCCCCCCC(=O)N1CN2CN(CC(C1)(C2)(N+)(=O)(O))C(=O)CCCCCCCCCCCCCCC
InChI=1SC38H72N4O4c135791113151719212325272936(43)403238(42(45)46)3139(3440)3541(3338)37(44)30282624222018161412108642h335H212H3
MFCD00309606
ZINC000102893171
ZINC102893171
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