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-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate

Catalog ID
STL545787
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc(cc1)OCC(=C)C

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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 C31H35NO8 MW 549.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO8/c1-19(2)18-39-23-8-6-20(7-9-23)25(15-29(34)38-5)31-30(35)26(33)14-24(40-31)17-32-11-10-21-12-27(36-3)28(37-4)13-22(21)16-32/h6-9,12-14,25,35H,1,10-11,15-18H2,2-5H3
InChIKey
KBQAVXJJTPHDCJ-UHFFFAOYSA-N
Synonyms

121541258
InChI=1SC31H35NO8c119(2)1839238620(7923)25(1529(34)385)3130(35)26(33)1424(4031)17321110211227(363)28(374)1322(21)1632h6912142535H110111518H225H3
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(4(2methylprop2enoxy)phenyl)propanoate
METHYL3(6((67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)3(4((2METHYLALLYL)OXY)PHENYL)PROPANOATE
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4((2methylprop2en1yl)oxy)phenyl)propanoate
MFCD30344107
ZINC000263585560
ZINC000263585561

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Available files

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