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-(4-oxo-4H-chromen-3-yl)propanoate
Catalog ID
STL543647
SMILES COC(=O)CC(c1coc2c(c1=O)cccc2)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 C39H39NO12 MW 713.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H39NO12/c1-45-30-13-21-11-12-40(35(25(21)17-31(30)46-2)22-14-32(47-3)39(50-6)33(15-22)48-4)19-23-16-28(41)37(44)38(52-23)26(18-34(42)49-5)27-20-51-29-10-8-7-9-24(29)36(27)43/h7-10,13-17,20,26,35,44H,11-12,18-19H2,1-6H3InChIKey
UORKJWHZGSSNRL-UHFFFAOYSA-NSynonyms
110207674
InChI=1SC39H39NO12c145301321111240(35(25(21)1731(30)462)221432(473)39(506)33(1522)484)19231628(41)37(44)38(5223)26(1834(42)495)272051291087924(29)36(27)43h710131720263544H11121819H216H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(4oxochromen3yl)propanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4oxo4Hchromen3yl)propanoate
MFCD29056269
ZINC000253413354
ZINC000253413357
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