Vitas-M small molecule compound

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

Catalog ID
STK773137
SMILES Clc1ccc(c(c1)Cl)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 C16H18Cl2N4O4 MW 401.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18Cl2N4O4/c1-14(2)15(21(23)24)6-19-8-16(14,22(25)26)9-20(7-15)13(19)11-4-3-10(17)5-12(11)18/h3-5,13H,6-9H2,1-2H3
InChIKey
KHDSXIJLOOFKLH-UHFFFAOYSA-N
Synonyms
500276-68-6
(1R3S5s7s)2(24dichlorophenyl)66dimethyl57dinitro13diazaadamantane
2(24dichlorophenyl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
500276686
CC1(C2(CN3CC1(CN(C2)C3C4=C(C=C(C=C4)Cl)Cl)(N+)(=O)(O))(N+)(=O)(O))C
Clc1ccc(c(c1)Cl)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H18Cl2N4O4c114(2)15(21(23)24)619816(1422(25)26)920(715)13(19)114310(17)512(11)18h3513H69H212H3
MFCD03303285
ZINC000019322224
ZINC19322224

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Available files

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