Vitas-M small molecule compound
13-imino-9,10-dimethoxy-3,3-dimethyl-1-oxo-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolinium
Catalog ID
STL552926
SMILES COc1cc2c(cc1OC)CC[NH+]1C2=CC(=N)C2=C1CC(CC2=O)(C)C
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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 C21H25N2O3 MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3/c1-21(2)10-16-20(17(24)11-21)14(22)9-15-13-8-19(26-4)18(25-3)7-12(13)5-6-23(15)16/h7-9,22H,5-6,10-11H2,1-4H3/p+1/b22-14+InChIKey
QDQWBGFKFYZJOB-HYARGMPZSA-OSynonyms
13imino910dimethoxy33dimethyl1oxo123456713octahydroisoquinolino(21a)quinolin5iumchloride
13imino910dimethoxy33dimethyl1oxo2346713hexahydro1Hisoquino(21a)quinolinium
COc1cc2c(cc1OC)CC(NH+)1C2=CC(=N)C2=C1CC(CC2=O)(C)C(Cl)
InChI=1SC21H24N2O3c121(2)101620(17(24)1121)14(22)91513819(264)18(253)712(13)5623(15)16h7922H561011H214H3p+1b2214+
ZINC000004028772
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