Vitas-M small molecule compound

6,6-dimethyl-2-(4-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane

Catalog ID
STK602703
SMILES Cc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[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/c1-12-4-6-13(7-5-12)14-18-8-16(20(22)23)9-19(14)11-17(10-18,21(24)25)15(16,2)3/h4-7,14H,8-11H2,1-3H3
InChIKey
HXWLGAKFZXCLOH-UHFFFAOYSA-N
Synonyms
488804-61-1
(1R3S5s7s)66dimethyl57dinitro2(ptolyl)13diazaadamantane
488804611
66dimethyl2(4methylphenyl)57dinitro13diazatricyclo(3311~37~)decane
CC1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4(C)C)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H22N4O4c1124613(7512)1418816(20(22)23)919(14)1117(101821(24)25)15(162)3h4714H811H213H3
MFCD03293295
ZINC000019320540
ZINC19320540

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Available files

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