Vitas-M small molecule compound
methyl 3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(4-hydroxy-3-methoxyphenyl)propanoate
Catalog ID
STL547077
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc(c(c1)OC)O
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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 C28H31NO9 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO9/c1-34-23-10-17(5-6-21(23)30)20(13-26(32)37-4)28-27(33)22(31)12-19(38-28)15-29-8-7-16-9-24(35-2)25(36-3)11-18(16)14-29/h5-6,9-12,20,30,33H,7-8,13-15H2,1-4H3InChIKey
GNYSYTZSXVDJAL-UHFFFAOYSA-NSynonyms
121541047
InChI=1SC28H31NO9c134231017(5621(23)30)20(1326(32)374)2827(33)22(31)1219(3828)15298716924(352)25(363)1118(16)1429h56912203033H781315H214H3
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(4hydroxy3methoxyphenyl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxy3methoxyphenyl)propanoate
MFCD30344001
ZINC000263585232
ZINC000263585233
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