Vitas-M small molecule compound

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

Catalog ID
STL434593
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2

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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 C24H20F2O8S MW 506.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F2O8S/c1-30-18-5-12(6-19-24(18)33-11-32-19)15(9-21(28)31-2)23-22(29)17(27)8-14(34-23)10-35-20-4-3-13(25)7-16(20)26/h3-8,15,29H,9-11H2,1-2H3
InChIKey
OLFJYYCQCMQCFQ-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC2=C1OCO2)C(CC(=O)OC)C3=C(C(=O)C=C(O3)CSC4=C(C=C(C=C4)F)F)O
InChI=1SC24H20F2O8Sc13018512(61924(18)33113219)15(921(28)312)2322(29)17(27)814(3423)1035204313(25)716(20)26h381529H911H212H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD30711241
ZINC000096335881
ZINC000096335882

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Available files

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