Vitas-M small molecule compound

methyl 5-[1-(3-chloro-4-fluorophenyl)-3-methoxy-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL421570
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(c(c1)Cl)F

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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 C17H15ClFNO6 MW 383.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFNO6/c1-25-13(21)6-9(8-3-4-12(19)11(18)5-8)14-15(22)10(17(24)26-2)7-20-16(14)23/h3-5,7,9H,6H2,1-2H3,(H2,20,22,23)
InChIKey
SPMMZZHQAOVDRT-UHFFFAOYSA-N
Synonyms
1676073-95-2
1676073952
COC(=O)CC(C1=CC(=C(C=C1)F)Cl)C2=C(C(=CNC2=O)C(=O)OC)O
InChI=1SC17H15ClFNO6c12513(21)69(83412(19)11(18)58)1415(22)10(17(24)262)72016(14)23h3579H6H212H3(H2202223)
methyl5(1(3chloro4fluorophenyl)3methoxy3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(1(3chloro4fluorophenyl)3methoxy3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
MFCD30707612
ZINC000218607226
ZINC000218607296

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Available files

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