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-(2-hydroxy-6-methoxyquinolin-3-yl)propanoate

Catalog ID
STL551394
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1cc2cc(OC)ccc2nc1O

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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 C31H32N2O9 MW 576.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O9/c1-38-20-5-6-24-18(9-20)10-23(31(37)32-24)22(14-28(35)41-4)30-29(36)25(34)13-21(42-30)16-33-8-7-17-11-26(39-2)27(40-3)12-19(17)15-33/h5-6,9-13,22,36H,7-8,14-16H2,1-4H3,(H,32,37)
InChIKey
HCHPHOLYVNMMAL-UHFFFAOYSA-N
Synonyms

129894891
InChI=1SC31H32N2O9c13820562418(920)1023(31(37)3224)22(1428(35)414)3029(36)25(34)1321(4230)163387171126(392)27(403)1219(17)1533h569132236H781416H214H3(H3237)
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(6methoxy2oxo1~(H)quinolin3yl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(2hydroxy6methoxyquinolin3yl)propanoate
MFCD31758112
ZINC000524729730
ZINC000524729731

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Available files

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