Vitas-M small molecule compound
2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK806212
SMILES Brc1cccc(c1)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 C16H19BrN4O4 MW 411.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3InChIKey
RUFKIHWOTUJKGW-UHFFFAOYSA-NSynonyms
355002-27-6(1R3S5s7s)2(3bromophenyl)66dimethyl57dinitro13diazaadamantane
2(3bromophenyl)66dimethyl57dinitro13diazatricyclo(3311~37~)decane
355002276
Brc1cccc(c1)C1N2CC3(CN1CC(C2)(C3(C)C)(N+)(=O)(O))(N+)(=O)(O)
CC1(C2(CN3CC1(CN(C2)C3C4=CC(=CC=C4)Br)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC16H19BrN4O4c114(2)15(20(22)23)718916(1421(24)25)1019(815)13(18)1143512(17)611h3613H710H212H3
MFCD01558978
ZINC000019320415
ZINC19320415
Check stock
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