Vitas-M small molecule compound
1-butyl-3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octane
Catalog ID
STL296079
SMILES CCCC[N+]12CCC(CC1)/C(=C(\c1ccccc1)/c1ccccc1)/C2
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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 C24H30N MW 332.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N/c1-2-3-16-25-17-14-20(15-18-25)23(19-25)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20H,2-3,14-19H2,1H3/q+1InChIKey
JKJGEBUSXAXLHT-UHFFFAOYSA-NSynonyms
(1s4r)1butyl3(diphenylmethylene)quinuclidin1iumbromide
1butyl3(diphenylmethylidene)1azoniabicyclo(222)octane
3BENZHYDRYLIDENE1BUTYL1AZONIABICYCLO(222)OCTANE
CCCC(N@+)12CC(C@H)(CC1)C(=C(c1ccccc1)c1ccccc1)C2(Br)
CCCC(N+)12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2
CCCC(N+)12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2
InChI=1SC24H30Nc1231625171420(151825)23(1925)24(21106471121)22128591322h41320H231419H21H3q+1
MFCD03006973
ZINC000002320836
ZINC02320836
ZINC2320836
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