Vitas-M small molecule compound

methyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-[4-(methylsulfanyl)phenyl]propanoate

Catalog ID
STL245884
SMILES COC(=O)CC(c1c(O)cc(nc1O)C)c1ccc(cc1)SC

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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 C17H19NO4S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4S/c1-10-8-14(19)16(17(21)18-10)13(9-15(20)22-2)11-4-6-12(23-3)7-5-11/h4-8,13H,9H2,1-3H3,(H2,18,19,21)
InChIKey
WNJGNMSSVBXOKR-UHFFFAOYSA-N
Synonyms
1374540-51-8
1374540518
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=CC=C(C=C2)SC)O
InChI=1SC17H19NO4Sc110814(19)16(17(21)1810)13(915(20)222)114612(233)7511h4813H9H213H3(H2181921)
methyl3(24dihydroxy6methylpyridin3yl)3(4(methylsulfanyl)phenyl)propanoate
methyl3(4hydroxy6methyl2oxo1Hpyridin3yl)3(4methylsulfanylphenyl)propanoate
MFCD24860393
ZINC000072404770
ZINC000072404771

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Available files

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