Vitas-M small molecule compound

3-[hydroxy(diphenyl)methyl]-1-[2-(4-methylphenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

Catalog ID
STL147288
SMILES Cc1ccc(cc1)C(=O)C[N+]12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O

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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 C29H32NO2 MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32NO2/c1-22-12-14-24(15-13-22)28(31)21-30-18-16-23(17-19-30)27(20-30)29(32,25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,27,32H,16-21H2,1H3/q+1
InChIKey
IZYDWLVXOGGYNX-UHFFFAOYSA-N
Synonyms

2(3(HYDROXY(DIPHENYL)METHYL)1AZONIABICYCLO(222)OCTAN1YL)1(4METHYLPHENYL)ETHANONE
3(hydroxy(diphenyl)methyl)1(2(4methylphenyl)2oxoethyl)1azoniabicyclo(222)octane
3(hydroxydiphenylmethyl)1(2oxo2(ptolyl)ethyl)quinuclidin1iumbromide
CC1=CC=C(C=C1)C(=O)C(N+)23CCC(CC2)C(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
Cc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O
Cc1ccc(cc1)C(=O)C(N+)12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O(Br)
InChI=1SC29H32NO2c122121424(151322)28(31)2130181623(171930)27(2030)29(32258425925)26106371126h215232732H1621H21H3q+1
MFCD03681242
ZINC000001822761
ZINC000001822762

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Available files

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