Vitas-M small molecule compound

1-benzyl-3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octane

Catalog ID
STK697903
SMILES c1ccc(cc1)C[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 C27H28N MW 366.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N/c1-4-10-22(11-5-1)20-28-18-16-23(17-19-28)26(21-28)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23H,16-21H2/q+1
InChIKey
VZTZXAXVZOQWKG-UHFFFAOYSA-N
Synonyms

(1s4s)1benzyl3(diphenylmethylene)quinuclidin1iumchloride
1benzyl3(diphenylmethylidene)1azoniabicyclo(222)octane
3BENZHYDRYLIDENE1BENZYL1AZONIABICYCLO(222)OCTANE
C1C(N+)2(CCC1C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2)CC5=CC=CC=C5
c1ccc(cc1)C(N@+)12CC(C@H)(CC1)C(=C(c1ccccc1)c1ccccc1)C2(Cl)
c1ccc(cc1)C(N+)12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2
InChI=1SC27H28Nc141022(1151)2028181623(171928)26(2128)27(24126271324)25148391525h11523H1621H2q+1
MFCD03765611
ZINC000001814105
ZINC01814105
ZINC1814105

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Available files

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