Vitas-M small molecule compound

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

Catalog ID
STK557671
SMILES CCc1ccc(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 C18H24N4O4 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O4/c1-4-13-5-7-14(8-6-13)15-19-9-17(21(23)24)10-20(15)12-18(11-19,22(25)26)16(17,2)3/h5-8,15H,4,9-12H2,1-3H3
InChIKey
UNMNJGPKLLQNHB-UHFFFAOYSA-N
Synonyms
577787-53-2
2(4ethylphenyl)66dimethyl57dinitro13diazaadamantane
2(4ethylphenyl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
577787532
CCC1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4(C)C)(N+)(=O)(O))(N+)(=O)(O)
CCc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H24N4O4c14135714(8613)1519917(21(23)24)1020(15)1218(111922(25)26)16(172)3h5815H4912H213H3
MFCD04027024
ZINC000019326945
ZINC19326945

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Available files

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