Vitas-M small molecule compound

methyl 5-(1-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-methoxy-3-oxopropyl)-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL545050
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(cc1)OCCc1ccc2c(c1)CCO2

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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/c1-33-23(29)14-20(24-25(30)21(27(32)34-2)15-28-26(24)31)17-4-6-19(7-5-17)35-11-9-16-3-8-22-18(13-16)10-12-36-22/h3-8,13,15,20H,9-12,14H2,1-2H3,(H2,28,30,31)
InChIKey
KPPWQADGGJQPAR-UHFFFAOYSA-N
Synonyms
methyl5(1(4(2(23dihydro1benzofuran5yl)ethoxy)phenyl)3methoxy3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(1(4(2(23dihydro1benzofuran5yl)ethoxy)phenyl)3methoxy3oxopropyl)4hydroxy6oxo1~(H)pyridine3carboxylate
METHYL5(1(4(2(23DIHYDROBENZOFURAN5YL)ETHOXY)PHENYL)3METHOXY3OXOPROPYL)4HYDROXY6OXO16DIHYDROPYRIDINE3CARBOXYLATE
Registry IDs
MFCD31756172
ZINC000253623775
ZINC000253623776

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Available files

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