Vitas-M small molecule compound
1-(2-bromobenzyl)-5,7-dimethyl-3-aza-1-azoniatricyclo[3.3.1.1~3,7~]decane
Catalog ID
STK372835
SMILES Brc1ccccc1C[N+]12CN3CC(C2)(CC(C1)(C3)C)C
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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 C17H24BrN2 MW 336.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24BrN2/c1-16-8-17(2)10-19(9-16)13-20(11-16,12-17)7-14-5-3-4-6-15(14)18/h3-6H,7-13H2,1-2H3/q+1InChIKey
JHXZDJOIVYQPQO-UHFFFAOYSA-NSynonyms
(1r3s5R7S)1(2bromobenzyl)57dimethyl13diazaadamantan1iumbromide
1(2bromobenzyl)57dimethyl3aza1azoniatricyclo(3311~37~)decane
Brc1ccccc1C(N+)12CN3CC(C2)(CC(C1)(C3)C)C
Brc1ccccc1C(N+)12CN3CC(C2)(CC(C1)(C3)C)C(Br)
CC12CC3(CN(C1)C(N+)(C2)(C3)CC4=CC=CC=C4Br)C
InChI=1SC17H24BrN2c116817(2)1019(916)1320(11161217)714534615(14)18h36H713H212H3q+1
MFCD00415810
ZINC000019323408
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