Vitas-M small molecule compound

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

Catalog ID
STK831241
SMILES COc1cc(ccc1OC)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 C18H24N4O6 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O6/c1-16(2)17(21(23)24)8-19-10-18(16,22(25)26)11-20(9-17)15(19)12-5-6-13(27-3)14(7-12)28-4/h5-7,15H,8-11H2,1-4H3
InChIKey
NPKUOPPJWIPKGM-UHFFFAOYSA-N
Synonyms

(1R3S5s7s)2(34dimethoxyphenyl)66dimethyl57dinitro13diazaadamantane
2(34dimethoxyphenyl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
CC1(C2(CN3CC1(CN(C2)C3C4=CC(=C(C=C4)OC)OC)(N+)(=O)(O))(N+)(=O)(O))C
COc1cc(ccc1OC)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H24N4O6c116(2)17(21(23)24)8191018(1622(25)26)1120(917)15(19)125613(273)14(712)284h5715H811H214H3
MFCD02764218
ZINC000019325760
ZINC19325760

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Available files

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