Vitas-M small molecule compound

2-(bicyclo[2.2.1]hept-2-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Catalog ID
STK591018
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CC1CC2CC1CC2

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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 C20H27NO3 MW 329.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO3/c1-23-18-9-15-5-6-21(12-17(15)10-19(18)24-2)20(22)11-16-8-13-3-4-14(16)7-13/h9-10,13-14,16H,3-8,11-12H2,1-2H3
InChIKey
MESVHWNKLKGEMS-UHFFFAOYSA-N
Synonyms

2((1R4S)bicyclo(221)heptan2yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)ethanone
2(3BICYCLO(221)HEPTANYL)1(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
2(bicyclo(221)hept2yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)ethanone
COC1=C(C=C2CN(CCC2=C1)C(=O)CC3CC4CCC3C4)OC
COc1cc2CN(CCc2cc1OC)C(=O)CC1C(C@@H)2C(C@H)1CC2
InChI=1SC20H27NO3c123189155621(1217(15)1019(18)242)20(22)11168133414(16)713h910131416H381112H212H3
MFCD09267118
ZINC000102776754
ZINC000102776758

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Available files

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