Vitas-M small molecule compound
2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK051768
SMILES COc1ccc(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 C17H22N4O5 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O5/c1-15(2)16(20(22)23)8-18-10-17(15,21(24)25)11-19(9-16)14(18)12-4-6-13(26-3)7-5-12/h4-7,14H,8-11H2,1-3H3InChIKey
AQUICHQENWTAOX-UHFFFAOYSA-NSynonyms
332392-68-4(1R3S5s7s)2(4methoxyphenyl)66dimethyl57dinitro13diazaadamantane
13DIAZAADAMANTANE2(4METHOXYPHENYL)66DIMETHYL57DINITRO
2(4methoxyphenyl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
332392684
CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)OC)(N+)(=O)(O))(N+)(=O)(O))C
COc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H22N4O5c115(2)16(20(22)23)8181017(1521(24)25)1119(916)14(18)124613(263)7512h4714H811H213H3
MFCD01559270
STK051768
ZINC000019320417
ZINC19320417
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