Vitas-M small molecule compound

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

Catalog ID
STL319340
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1cccc(c1)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 C22H20O6S MW 412.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O6S/c1-27-20(25)12-18(14-6-5-7-15(23)10-14)22-21(26)19(24)11-16(28-22)13-29-17-8-3-2-4-9-17/h2-11,18,23,26H,12-13H2,1H3
InChIKey
ACEMBKCEAGAAFP-UHFFFAOYSA-N
Synonyms
1435997-22-0
1435997220
COC(=O)CC(C1=CC(=CC=C1)O)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3)O
InChI=1SC22H20O6Sc12720(25)1218(1465715(23)1014)2221(26)19(24)1116(2822)1329178324917h211182326H1213H21H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)3(3hydroxyphenyl)propanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)3(3hydroxyphenyl)propanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)3(3hydroxyphenyl)propanoate
MFCD23138288
ZINC000095479999
ZINC000095480000

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Available files

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