Vitas-M small molecule compound

methyl 3-(3-hydroxy-6-{[(2-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate

Catalog ID
STL539892
SMILES COC(=O)CC(c1oc(CSc2ccccc2C)cc(=O)c1O)c1cccnc1

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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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-14-6-3-4-8-19(14)29-13-16-10-18(24)21(26)22(28-16)17(11-20(25)27-2)15-7-5-9-23-12-15/h3-10,12,17,26H,11,13H2,1-2H3
InChIKey
MZYZSCQYSWUPAS-UHFFFAOYSA-N
Synonyms
1574408-93-7
1574408937
71827153
InChI=1SC22H21NO5Sc114634819(14)2913161018(24)21(26)22(2816)17(1120(25)272)15759231215h310121726H1113H212H3
METHYL3(3HYDROXY4OXO6((OTOLYLTHIO)METHYL)4HPYRAN2YL)3(PYRIDIN3YL)PROPANOATE
methyl3(3hydroxy6(((2methylphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)3(pyridin3yl)propanoate
methyl3(3hydroxy6((2methylphenyl)sulfanylmethyl)4oxopyran2yl)3pyridin3ylpropanoate
MFCD28050780
ZINC000096114101
ZINC000096114102

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Available files

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