Vitas-M small molecule compound
1-butyl-3-[(phenylcarbonyl)oxy]-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK697907
SMILES CCCC[N+]12CCC(CC1)C(C2)OC(=O)c1ccccc1
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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 C18H26NO2 MW 288.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26NO2/c1-2-3-11-19-12-9-15(10-13-19)17(14-19)21-18(20)16-7-5-4-6-8-16/h4-8,15,17H,2-3,9-14H2,1H3/q+1InChIKey
VBOCSQAMZGTLAV-UHFFFAOYSA-NSynonyms
(1BUTYL1AZONIABICYCLO(222)OCTAN3YL)BENZOATE
(1s4r)3(benzoyloxy)1butylquinuclidin1iumbromide
(3R)3(BENZOYLOXY)1BUTYL1AZONIABICYCLO(222)OCTANE
(3S)3(BENZOYLOXY)1BUTYL1AZONIABICYCLO(222)OCTANE
1BUTYL3((PHENYLCARBONYL)OXY)1AZONIABICYCLO(222)OCTANE
CCCC(N@+)12CC(C@H)(CC1)C(C2)OC(=O)c1ccccc1(Br)
CCCC(N+)12CCC(CC1)C(C2)OC(=O)c1ccccc1
CCCC(N+)12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3
InChI=1SC18H26NO2c123111912915(101319)17(1419)2118(20)167546816h481517H23914H21H3q+1
ZINC000001833733
ZINC000001833734
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