Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(2-hydroxyquinolin-3-yl)propanoate
Catalog ID
STL550355
SMILES COC(=O)CC(c1cc2ccccc2nc1O)c1oc(CN2CCc3c(C2)cccc3)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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-35-25(32)14-21(22-12-18-7-4-5-9-23(18)29-28(22)34)27-26(33)24(31)13-20(36-27)16-30-11-10-17-6-2-3-8-19(17)15-30/h2-9,12-13,21,33H,10-11,14-16H2,1H3,(H,29,34)InChIKey
FUMCECNSXCSVNC-UHFFFAOYSA-NSynonyms
129895781
InChI=1SC28H26N2O6c13525(32)1421(221218745923(18)2928(22)34)2726(33)24(31)1320(3627)1630111017623819(17)1530h2912132133H10111416H21H3(H2934)
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(2oxo1~(H)quinolin3yl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(2hydroxyquinolin3yl)propanoate
MFCD31757543
ZINC000524731645
ZINC000524731646
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