Vitas-M small molecule compound

1-azabicyclo[2.2.2]oct-3-yl 3-chlorobenzoate

Catalog ID
STK060287
SMILES Clc1cccc(c1)C(=O)OC1CN2CCC1CC2

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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 C14H16ClNO2 MW 265.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16ClNO2/c15-12-3-1-2-11(8-12)14(17)18-13-9-16-6-4-10(13)5-7-16/h1-3,8,10,13H,4-7,9H2
InChIKey
DFNQCAZXMFUWAM-UHFFFAOYSA-N
Synonyms

(1s4s)quinuclidin3yl3chlorobenzoatehydrochloride
1AZABICYCLO(222)OCT3YL3CHLOROBENZOATE
1AZABICYCLO(222)OCTAN3YL3CHLOROBENZOATE
C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)Cl
Clc1cccc(c1)C(=O)OC1CN2CC(C@H)1CC2Cl
Clc1cccc(c1)C(=O)OC1CN2CCC1CC2
InChI=1SC14H16ClNO2c151231211(812)14(17)18139166410(13)5716h1381013H479H2
MFCD03236533
STK060287
ZINC000000317134
ZINC000000317135

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.