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-(2,4,5-trimethoxyphenyl)propanoate
Catalog ID
STL549039
SMILES COC(=O)CC(c1oc(cc(=O)c1O)CN1CCc2c(C1c1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC)c1cc(OC)c(cc1OC)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/c1-44-28-19-32(48-5)31(47-4)17-25(28)26(18-35(42)51-8)38-37(43)27(41)15-23(53-38)20-40-11-10-21-12-29(45-2)30(46-3)16-24(21)36(40)22-13-33(49-6)39(52-9)34(14-22)50-7/h12-17,19,26,36,43H,10-11,18,20H2,1-9H3InChIKey
AUSQXERVLUTFPV-UHFFFAOYSA-NSynonyms
110206651
InChI=1SC39H45NO13c144281932(485)31(474)1725(28)26(1835(42)518)3837(43)27(41)1523(5338)20401110211229(452)30(463)1624(21)36(40)221333(496)39(529)34(1422)507h121719263643H10111820H219H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(245trimethoxyphenyl)propanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(245trimethoxyphenyl)propanoate
MFCD29055790
ZINC000253396080
ZINC000253396087
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