Vitas-M small molecule compound

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

Catalog ID
STL539659
SMILES COC(=O)CC(c1oc(CSc2cccc(c2)C)cc(=O)c1O)c1ccc(cc1)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 C23H22O6S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22O6S/c1-14-4-3-5-18(10-14)30-13-17-11-20(25)22(27)23(29-17)19(12-21(26)28-2)15-6-8-16(24)9-7-15/h3-11,19,24,27H,12-13H2,1-2H3
InChIKey
DLDGSMNFXZURAR-UHFFFAOYSA-N
Synonyms
1574474-66-0
1574474660
71827060
InChI=1SC23H22O6Sc11443518(1014)3013171120(25)22(27)23(2917)19(1221(26)282)156816(24)9715h311192427H1213H212H3
METHYL3(3HYDROXY4OXO6((MTOLYLTHIO)METHYL)4HPYRAN2YL)3(4HYDROXYPHENYL)PROPANOATE
methyl3(3hydroxy6(((3methylphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(3hydroxy6((3methylphenyl)sulfanylmethyl)4oxopyran2yl)3(4hydroxyphenyl)propanoate
MFCD28050857
ZINC000096114242
ZINC000096114243

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Available files

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