Vitas-M small molecule compound

methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)propanoate

Catalog ID
STL545162
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2c2cc(OC)c(c(c2)OC)OC)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc2c(c1)OCCO2

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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 C38H41NO12 MW 703.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41NO12/c1-43-29-13-22-9-10-39(35(25(22)18-30(29)44-2)23-15-32(45-3)38(48-6)33(16-23)46-4)20-24-17-27(40)36(42)37(51-24)26(19-34(41)47-5)21-7-8-28-31(14-21)50-12-11-49-28/h7-8,13-18,26,35,42H,9-12,19-20H2,1-6H3
InChIKey
UCICMEZSJCENSS-UHFFFAOYSA-N
Synonyms

110206686
InChI=1SC38H41NO12c14329132291039(35(25(22)1830(29)442)231532(453)38(486)33(1623)464)20241727(40)36(42)37(5124)26(1934(41)475)21782831(1421)5012114928h781318263542H9121920H216H3
methyl3(23dihydro14benzodioxin6yl)3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)propanoate
methyl3(23dihydro14benzodioxin6yl)3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
METHYL3(23DIHYDROBENZO(B)(14)DIOXIN6YL)3(6((67DIMETHOXY1(345TRIMETHOXYPHENYL)34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)PROPANOATE
MFCD29055804
ZINC000253413192
ZINC000253413195

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.