Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[(2-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-4-methylpentanoate
Catalog ID
STL314891
SMILES COC(=O)CC(c1oc(CSc2ccccc2OC)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 C20H24O6S MW 392.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24O6S/c1-12(2)14(10-18(22)25-4)20-19(23)15(21)9-13(26-20)11-27-17-8-6-5-7-16(17)24-3/h5-9,12,14,23H,10-11H2,1-4H3InChIKey
ONDHIYLRSUSPNR-UHFFFAOYSA-NSynonyms
1436000-41-71436000417
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=CC=CC=C2OC)O
InChI=1SC20H24O6Sc112(2)14(1018(22)254)2019(23)15(21)913(2620)112717865716(17)243h59121423H1011H214H3
methyl3(3hydroxy6(((2methoxyphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy6(((2methoxyphenyl)thio)methyl)4oxo4Hpyran2yl)4methylpentanoate
methyl3(3hydroxy6((2methoxyphenyl)sulfanylmethyl)4oxopyran2yl)4methylpentanoate
MFCD23139058
ZINC000095476667
ZINC000095476668
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