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-(3,4,5-trimethoxyphenyl)propanoate
Catalog ID
STL548474
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
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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 C39H45NO13 MW 735.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45NO13/c1-44-28-12-21-10-11-40(35(25(21)18-29(28)45-2)23-15-32(48-5)39(52-9)33(16-23)49-6)20-24-17-27(41)36(43)37(53-24)26(19-34(42)50-7)22-13-30(46-3)38(51-8)31(14-22)47-4/h12-18,26,35,43H,10-11,19-20H2,1-9H3InChIKey
NETKSSSITQZGER-UHFFFAOYSA-NSynonyms
110206164
InChI=1SC39H45NO13c144281221101140(35(25(21)1829(28)452)231532(485)39(529)33(1623)496)20241727(41)36(43)37(5324)26(1934(42)507)221330(463)38(518)31(1422)474h1218263543H10111920H219H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(345trimethoxyphenyl)propanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(345trimethoxyphenyl)propanoate
MFCD29055563
ZINC000253410303
ZINC000253410309
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