Vitas-M small molecule compound

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

Catalog ID
STL543780
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(c(c1)Cl)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 C17H16ClNO7 MW 381.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO7/c1-25-13(21)6-9(8-3-4-12(20)11(18)5-8)14-15(22)10(17(24)26-2)7-19-16(14)23/h3-5,7,9,20H,6H2,1-2H3,(H2,19,22,23)
InChIKey
QSKQSRNGFCMEKL-UHFFFAOYSA-N
Synonyms
1676078-55-9
102565065
1676078559
InChI=1SC17H16ClNO7c12513(21)69(83412(20)11(18)58)1415(22)10(17(24)262)71916(14)23h357920H6H212H3(H2192223)
methyl5(1(3chloro4hydroxyphenyl)3methoxy3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(1(3chloro4hydroxyphenyl)3methoxy3oxopropyl)4hydroxy6oxo1~(H)pyridine3carboxylate
METHYL5(1(3CHLORO4HYDROXYPHENYL)3METHOXY3OXOPROPYL)4HYDROXY6OXO16DIHYDROPYRIDINE3CARBOXYLATE
MFCD31755915
ZINC000218097705
ZINC000218097789

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Available files

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