Vitas-M small molecule compound

methyl 3-[({6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl]benzoate

Catalog ID
STL520460
SMILES COC(=O)c1cccc(c1)COc1coc(cc1=O)CN1CCc2c(C1)cc(c(c2)OC)OC

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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 C26H27NO7 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO7/c1-30-23-10-18-7-8-27(13-20(18)11-24(23)31-2)14-21-12-22(28)25(16-33-21)34-15-17-5-4-6-19(9-17)26(29)32-3/h4-6,9-12,16H,7-8,13-15H2,1-3H3
InChIKey
LOBOCOJHSZVFBN-UHFFFAOYSA-N
Synonyms
1246056-04-1
1246056041
51052348
InChI=1SC26H27NO7c1302310187827(1320(18)1124(23)312)14211222(28)25(163321)34151754619(917)26(29)323h4691216H781315H213H3
methyl3(((6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)4oxo4Hpyran3yl)oxy)methyl)benzoate
methyl3((6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)4oxopyran3yl)oxymethyl)benzoate
MFCD18064945
ZINC000049543677
ZINC49543677

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Available files

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