Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL549403
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2
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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 C27H27NO8 MW 493.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO8/c1-32-22-9-18(10-23-27(22)35-15-34-23)20(12-24(30)33-2)26-25(31)21(29)11-19(36-26)14-28-8-7-16-5-3-4-6-17(16)13-28/h3-6,9-11,20,31H,7-8,12-15H2,1-2H3InChIKey
JWQCGOVBFPNHCF-UHFFFAOYSA-NSynonyms
129895488
InChI=1SC27H27NO8c13222918(102327(22)35153423)20(1224(30)332)2625(31)21(29)1119(3626)14288716534617(16)1328h369112031H781215H212H3
methyl3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(7methoxybenzo(d)(13)dioxol5yl)propanoate
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD31756967
ZINC000524731088
ZINC000524731089
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