Vitas-M small molecule compound
3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]propanamide
Catalog ID
STL550581
SMILES COc1c2c(CCN(C2CNC(=O)CC(c2oc(C)cc(=O)c2O)c2ccc(c(c2)OC)O)C)cc2c1OCO2
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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 C29H32N2O9 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O9/c1-15-9-21(33)26(35)27(40-15)18(16-5-6-20(32)22(10-16)36-3)12-24(34)30-13-19-25-17(7-8-31(19)2)11-23-28(29(25)37-4)39-14-38-23/h5-6,9-11,18-19,32,35H,7-8,12-14H2,1-4H3,(H,30,34)InChIKey
KOLDXNBRTHNRJM-UHFFFAOYSA-NSynonyms
129895167
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)methyl)propanamide
InChI=1SC29H32N2O9c115921(33)26(35)27(4015)18(165620(32)22(1016)363)1224(34)3013192517(7831(19)2)112328(29(25)374)39143823h5691118193235H781214H214H3(H3034)
MFCD31757659
ZINC000524730470
ZINC000524730473
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