Vitas-M small molecule compound
3,7-bis(2-chloroethyl)-9,9-dimethyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Catalog ID
STK700412
SMILES ClCCN1CC2(CN(CC(C1)(C2(C)C)[N+](=O)[O-])CCCl)[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 C13H22Cl2N4O4 MW 369.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22Cl2N4O4/c1-11(2)12(18(20)21)7-16(5-3-14)8-13(11,19(22)23)10-17(9-12)6-4-15/h3-10H2,1-2H3InChIKey
ANUZNPKHZLRJDW-UHFFFAOYSA-NSynonyms
223536-39-8(1s5s)37bis(2chloroethyl)99dimethyl15dinitro37diazabicyclo(331)nonane
223536398
37BIS(2CHLOROETHYL)15BISNITRO99DIMETHYL37DIAZABICYCLO(331)NONANE
37bis(2chloroethyl)99dimethyl15dinitro37diazabicyclo(331)nonane
CC1(C2(CN(CC1(CN(C2)CCCl)(N+)(=O)(O))CCCl)(N+)(=O)(O))C
ClCCN1CC2(CN(CC(C1)(C2(C)C)(N+)(=O)(O))CCCl)(N+)(=O)(O)
InChI=1SC13H22Cl2N4O4c111(2)12(18(20)21)716(5314)813(1119(22)23)1017(912)6415h310H212H3
MFCD00400887
ZINC000053276036
ZINC53276036
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