Vitas-M small molecule compound

methyl 3-(6-{[(4-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)propanoate

Catalog ID
STL434591
SMILES COC(=O)CC(c1cc(OC)c2c(c1OC)OCO2)c1oc(CSc2ccc(cc2)Cl)cc(=O)c1O

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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 C25H23ClO9S MW 534.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClO9S/c1-30-19-9-16(23(32-3)25-24(19)33-12-34-25)17(10-20(28)31-2)22-21(29)18(27)8-14(35-22)11-36-15-6-4-13(26)5-7-15/h4-9,17,29H,10-12H2,1-3H3
InChIKey
FVMNAZJFYMEJIR-UHFFFAOYSA-N
Synonyms

COC1=C2C(=C(C(=C1)C(CC(=O)OC)C3=C(C(=O)C=C(O3)CSC4=CC=C(C=C4)Cl)O)OC)OCO2
InChI=1SC25H23ClO9Sc13019916(23(323)2524(19)33123425)17(1020(28)312)2221(29)18(27)814(3522)1136156413(26)5715h491729H1012H213H3
methyl3(6(((4chlorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(47dimethoxy13benzodioxol5yl)propanoate
methyl3(6((4chlorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(47dimethoxy13benzodioxol5yl)propanoate
MFCD30711239
ZINC000100255948
ZINC000100255953

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Available files

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