Vitas-M small molecule compound
3-(diphenylmethylidene)-1-ethyl-1-azoniabicyclo[2.2.2]octane
Catalog ID
STK727149
SMILES CC[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 C22H26N MW 304.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N/c1-2-23-15-13-18(14-16-23)21(17-23)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3/q+1InChIKey
HPKAPRNPJWJSDT-UHFFFAOYSA-NSynonyms
(1s4s)3(diphenylmethylene)1ethylquinuclidin1iumbromide
3(diphenylmethylidene)1ethyl1azoniabicyclo(222)octane
3BENZHYDRYLIDENE1ETHYL1AZONIABICYCLO(222)OCTANE
CC(N@+)12CC(C@H)(CC1)C(=C(c1ccccc1)c1ccccc1)C2(Br)
CC(N+)12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2
CC(N+)12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2
InChI=1SC22H26Nc1223151318(141623)21(1723)22(1995361019)20117481220h31218H21317H21H3q+1
MFCD03254562
ZINC000001310386
ZINC01310386
ZINC1310386
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