Vitas-M small molecule compound

methyl 3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate

Catalog ID
STL544131
SMILES COC(=O)CC(c1coc2c(c1=O)cc(cc2)OC)c1oc(CN2CCc3c(C2c2cc(OC)c(c(c2)OC)OC)cc(c(c3)OC)OC)cc(=O)c1O

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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 C40H41NO13 MW 743.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H41NO13/c1-46-23-8-9-30-27(15-23)37(44)28(20-53-30)26(18-35(43)51-6)39-38(45)29(42)16-24(54-39)19-41-11-10-21-12-31(47-2)32(48-3)17-25(21)36(41)22-13-33(49-4)40(52-7)34(14-22)50-5/h8-9,12-17,20,26,36,45H,10-11,18-19H2,1-7H3
InChIKey
SKBRDFRYUDAMFR-UHFFFAOYSA-N
Synonyms

110206048
InChI=1SC40H41NO13c14623893027(1523)37(44)28(205330)26(1835(43)516)3938(45)29(42)1624(5439)19411110211231(472)32(483)1725(21)36(41)221333(494)40(527)34(1422)505h89121720263645H10111819H217H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(6methoxy4oxochromen3yl)propanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(6methoxy4oxo4Hchromen3yl)propanoate
MFCD29055509
ZINC000253412895
ZINC000253412898

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Available files

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