Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STL059270
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccc2c(c1)OCO2)[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 C17H20N4O6 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O6/c1-15(2)16(20(22)23)6-18-8-17(15,21(24)25)9-19(7-16)14(18)11-3-4-12-13(5-11)27-10-26-12/h3-5,14H,6-10H2,1-2H3InChIKey
QBRXQMNVTRONHQ-UHFFFAOYSA-NSynonyms
(1R3S5s7s)2(benzo(d)(13)dioxol5yl)66dimethyl57dinitro13diazaadamantane
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)(C@@H)3c1ccc2c(c1)OCO2)(N+)(=O)(O)
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccc2c(c1)OCO2)(N+)(=O)(O)
2(13benzodioxol5yl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
CC1(C2(CN3CC1(CN(C2)C3C4=CC5=C(C=C4)OCO5)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC17H20N4O6c115(2)16(20(22)23)618817(1521(24)25)919(716)14(18)11341213(511)27102612h3514H610H212H3
MFCD03777212
ZINC000019324310
ZINC19324310
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