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-(quinolin-4-yl)propanoate

Catalog ID
STL548782
SMILES COC(=O)CC(c1ccnc2c1cccc2)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 C39H40N2O10 MW 696.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40N2O10/c1-45-31-15-22-12-14-41(36(27(22)19-32(31)46-2)23-16-33(47-3)39(50-6)34(17-23)48-4)21-24-18-30(42)37(44)38(51-24)28(20-35(43)49-5)25-11-13-40-29-10-8-7-9-26(25)29/h7-11,13,15-19,28,36,44H,12,14,20-21H2,1-6H3
InChIKey
SPUDVSNUPBWEKG-UHFFFAOYSA-N
Synonyms

110207414
InChI=1SC39H40N2O10c145311522121441(36(27(22)1932(31)462)231633(473)39(506)34(1723)484)21241830(42)37(44)38(5124)28(2035(43)495)25111340291087926(25)29h711131519283644H12142021H216H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3quinolin4ylpropanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(quinolin4yl)propanoate
MFCD29056146
ZINC000253412966
ZINC000253412969

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Available files

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