Vitas-M small molecule compound

(2Z)-2-(3,4-dichlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one

Catalog ID
STK788519
SMILES O=C1C2CCN(/C/1=C\c1ccc(c(c1)Cl)Cl)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 C14H13Cl2NO MW 282.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7-8,10H,3-6H2/b13-8-
InChIKey
BBPIJAHKBWZYBU-JYRVWZFOSA-N
Synonyms

(1s4sE)2(34dichlorobenzylidene)quinuclidin3one
(2Z)2((34DICHLOROPHENYL)METHYLIDENE)1AZABICYCLO(222)OCTAN3ONE
(2Z)2(34dichlorobenzylidene)1azabicyclo(222)octan3one
2(34DICHLOROBENZYLIDENE)1AZABICYCLO(222)OCTAN3ONE
C1CN2CCC1C(=O)C2=CC3=CC(=C(C=C3)Cl)Cl
InChI=1SC14H13Cl2NOc1511219(712(11)16)81314(18)103517(13)6410h127810H36H2b138
MFCD01541468
O=C1C2CCN(C1=Cc1ccc(c(c1)Cl)Cl)CC2
ZINC000033289553
ZINC33289553

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Available files

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