Vitas-M small molecule compound

8-butyl-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane

Catalog ID
STL553418
SMILES CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)CO

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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 C21H32NO3 MW 346.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32NO3/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16/h5-9,17-20,23H,3-4,10-15H2,1-2H3/q+1
InChIKey
ZPLFTMSGAJIVDZ-UHFFFAOYSA-N
Synonyms

(1R3r5S8s)8butyl3((3hydroxy2phenylpropanoyl)oxy)8methyl8azabicyclo(321)octan8iumbromide
(8BUTYL8METHYL8AZONIABICYCLO(321)OCTAN3YL)3HYDROXY2PHENYLPROPANOATE
3703596
8butyl3((3hydroxy2phenylpropanoyl)oxy)8methyl8azoniabicyclo(321)octane
CCCC(N+)1(C)(C@@H)2CC(C@H)1C(C@H)(C2)OC(=O)C(c1ccccc1)CO(Br)
InChI=1SC21H32NO3c1341222(2)17101118(22)1419(1317)2521(24)20(1523)168657916h59172023H341015H212H3q+1
ZINC000106765104
ZINC000504238452

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Available files

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