Vitas-M small molecule compound

methyl 3-[4-(acetyloxy)-3,5-dimethoxyphenyl]-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)propanoate

Catalog ID
STL546586
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2c2cc(OC)c(c(c2)OC)OC)cc(c(c3)OC)OC)cc(=O)c1O)c1cc(OC)c(c(c1)OC)OC(=O)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 C40H45NO14 MW 763.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H45NO14/c1-21(42)54-40-33(50-6)13-23(14-34(40)51-7)27(19-35(44)52-8)38-37(45)28(43)17-25(55-38)20-41-11-10-22-12-29(46-2)30(47-3)18-26(22)36(41)24-15-31(48-4)39(53-9)32(16-24)49-5/h12-18,27,36,45H,10-11,19-20H2,1-9H3
InChIKey
ZAPICERQPURZKN-UHFFFAOYSA-N
Synonyms

110206139
InChI=1SC40H45NO14c121(42)544033(506)1323(1434(40)517)27(1935(44)528)3837(45)28(43)1725(5538)20411110221229(462)30(473)1826(22)36(41)241531(484)39(539)32(1624)495h1218273645H10111920H219H3
methyl3(4(acetyloxy)35dimethoxyphenyl)3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
METHYL3(4ACETOXY35DIMETHOXYPHENYL)3(6((67DIMETHOXY1(345TRIMETHOXYPHENYL)34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)PROPANOATE
methyl3(4acetyloxy35dimethoxyphenyl)3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)propanoate
MFCD29055552
ZINC000253414905
ZINC000253414908

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Available files

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