Vitas-M small molecule compound
methyl 3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-4-methylpentanoate
Catalog ID
STL309440
SMILES COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)C(C)C
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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 C19H22O5S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22O5S/c1-12(2)15(10-17(21)23-3)19-18(22)16(20)9-13(24-19)11-25-14-7-5-4-6-8-14/h4-9,12,15,22H,10-11H2,1-3H3InChIKey
KBJCIQUTQFZBTN-UHFFFAOYSA-NSynonyms
1435898-62-61435898626
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=CC=CC=C2)O
InChI=1SC19H22O5Sc112(2)15(1017(21)233)1918(22)16(20)913(2419)1125147546814h49121522H1011H213H3
methyl3(3hydroxy4oxo6((phenylsulfanyl)methyl)4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy4oxo6((phenylthio)methyl)4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy4oxo6(phenylsulfanylmethyl)pyran2yl)4methylpentanoate
MFCD23137092
ZINC000095472579
ZINC000095472580
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