Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL161580
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)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 C18H20O6S MW 364.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20O6S/c1-3-23-16(21)9-14(11-4-6-13(25-2)7-5-11)18-17(22)15(20)8-12(10-19)24-18/h4-8,14,19,22H,3,9-10H2,1-2H3InChIKey
BUNDWNBSXBPEJG-UHFFFAOYSA-NSynonyms
1324078-65-01324078650
CCOC(=O)CC(C1=CC=C(C=C1)SC)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4(methylsulfanyl)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4(methylthio)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(4methylsulfanylphenyl)propanoate
InChI=1SC18H20O6Sc132316(21)914(114613(252)7511)1817(22)15(20)812(1019)2418h48141922H3910H212H3
MFCD19708890
ZINC000071280345
ZINC000071280346
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