Vitas-M small molecule compound
6,6-dimethyl-2-(2-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK836528
SMILES [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccccc1C)[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 C17H22N4O4 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O4/c1-12-6-4-5-7-13(12)14-18-8-16(20(22)23)9-19(14)11-17(10-18,21(24)25)15(16,2)3/h4-7,14H,8-11H2,1-3H3InChIKey
LTNOVTVITUYIKL-UHFFFAOYSA-NSynonyms
(1R3S5s7s)66dimethyl57dinitro2(otolyl)13diazaadamantane
(O)(N+)(=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccccc1C)(N+)(=O)(O)
66dimethyl2(2methylphenyl)57dinitro13diazatricyclo(3311~37~)decane
CC1=CC=CC=C1C2N3CC4(CN2CC(C3)(C4(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H22N4O4c112645713(12)1418816(20(22)23)919(14)1117(101821(24)25)15(162)3h4714H811H213H3
MFCD02764225
ZINC000019323836
ZINC19323836
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