Vitas-M small molecule compound

methyl 5-{1-[5-(2-fluorophenyl)furan-2-yl]-3-methoxy-3-oxopropyl}-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL422980
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(o1)c1ccccc1F

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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 C21H18FNO7 MW 415.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO7/c1-28-17(24)9-12(18-19(25)13(21(27)29-2)10-23-20(18)26)16-8-7-15(30-16)11-5-3-4-6-14(11)22/h3-8,10,12H,9H2,1-2H3,(H2,23,25,26)
InChIKey
NTLYRHISKKLTEB-UHFFFAOYSA-N
Synonyms
1676072-52-8
1676072528
COC(=O)CC(C1=CC=C(O1)C2=CC=CC=C2F)C3=C(C(=CNC3=O)C(=O)OC)O
InChI=1SC21H18FNO7c12817(24)912(1819(25)13(21(27)292)102320(18)26)168715(3016)11534614(11)22h381012H9H212H3(H2232526)
methyl5(1(5(2fluorophenyl)furan2yl)3methoxy3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(1(5(2fluorophenyl)furan2yl)3methoxy3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
MFCD30708480
ZINC000218615951
ZINC000218616032

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Available files

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