Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
Catalog ID
STL550673
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cc(OC)c(c(c1)OC)O
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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 C27H29NO8 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO8/c1-33-22-10-18(11-23(34-2)26(22)32)20(13-24(30)35-3)27-25(31)21(29)12-19(36-27)15-28-9-8-16-6-4-5-7-17(16)14-28/h4-7,10-12,20,31-32H,8-9,13-15H2,1-3H3InChIKey
GYEZJHPMOFEGJG-UHFFFAOYSA-NSynonyms
129895338
InChI=1SC27H29NO8c133221018(1123(342)26(22)32)20(1324(30)353)2725(31)21(29)1219(3627)15289816645717(16)1428h471012203132H891315H213H3
methyl3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxy35dimethoxyphenyl)propanoate
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(4hydroxy35dimethoxyphenyl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxy35dimethoxyphenyl)propanoate
MFCD31757710
ZINC000524730374
ZINC000524730375
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