Vitas-M small molecule compound

3-[(Z)-(3-oxo-1-azoniabicyclo[2.2.2]oct-2-ylidene)methyl]phenolate

Catalog ID
STK559437
SMILES [O-]c1cccc(c1)/C=C/1\[NH+]2CCC(C1=O)CC2

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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 C14H15NO2 MW 229.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15NO2/c16-12-3-1-2-10(8-12)9-13-14(17)11-4-6-15(13)7-5-11/h1-3,8-9,11,16H,4-7H2/b13-9-
InChIKey
JCXQYMSFNJMEGJ-LCYFTJDESA-N
Synonyms
196712-94-4
(2Z)2((3HYDROXYPHENYL)METHYLIDENE)1AZABICYCLO(222)OCTAN3ONE
(O)c1cccc(c1)C=C1(NH+)2CCC(C1=O)CC2
196712944
2(3HYDROXYBENZYLIDENE)QUINUCLIDIN3ONE
3((Z)(3oxo1azoniabicyclo(222)oct2ylidene)methyl)phenolate
3((Z)(3oxo1azoniabicyclo(222)octan2ylidene)methyl)phenolate
C1C(NH+)2CCC1C(=O)C2=CC3=CC(=CC=C3)(O)
InChI=1SC14H15NO2c161231210(812)91314(17)114615(13)7511h13891116H47H2b139
MFCD01306268
ZINC000033297614
ZINC33297614

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Available files

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