Vitas-M small molecule compound

methyl 4,6-dihydroxy-5-[3-methoxy-3-oxo-1-(thiophen-3-yl)propyl]pyridine-3-carboxylate

Catalog ID
STL424978
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1cscc1

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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 C15H15NO6S MW 337.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO6S/c1-21-11(17)5-9(8-3-4-23-7-8)12-13(18)10(15(20)22-2)6-16-14(12)19/h3-4,6-7,9H,5H2,1-2H3,(H2,16,18,19)
InChIKey
YZLZQOTYXHNZPA-UHFFFAOYSA-N
Synonyms
1676066-95-7
1676066957
COC(=O)CC(C1=CSC=C1)C2=C(C(=CNC2=O)C(=O)OC)O
InChI=1SC15H15NO6Sc12111(17)59(8342378)1213(18)10(15(20)222)61614(12)19h34679H5H212H3(H2161819)
methyl46dihydroxy5(3methoxy3oxo1(thiophen3yl)propyl)pyridine3carboxylate
methyl4hydroxy5(3methoxy3oxo1thiophen3ylpropyl)6oxo1Hpyridine3carboxylate
MFCD30709688
ZINC000218481525
ZINC000218481603

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Available files

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