Vitas-M small molecule compound
6,6-dimethyl-5,7-dinitro-2-(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK831243
SMILES CC(C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-])C
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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 C13H22N4O4 MW 298.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22N4O4/c1-9(2)10-14-5-12(16(18)19)6-15(10)8-13(7-14,17(20)21)11(12,3)4/h9-10H,5-8H2,1-4H3InChIKey
QQRNHYFYVGVGSM-UHFFFAOYSA-NSynonyms
(1R3S5s7s)2isopropyl66dimethyl57dinitro13diazaadamantane
66dimethyl57dinitro2(propan2yl)13diazatricyclo(3311~37~)decane
CC(C)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
CC(C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC13H22N4O4c19(2)1014512(16(18)19)615(10)813(71417(20)21)11(123)4h910H58H214H3
MFCD02946914
ZINC000019324219
ZINC19324219
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