Vitas-M small molecule compound

diethyl 4-hydroxy-4-methyl-2-[4-(methylsulfanyl)phenyl]-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL444535
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)SC)C(=O)OCC)(C)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 C20H26O6S MW 394.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26O6S/c1-5-25-18(22)16-14(21)11-20(3,24)17(19(23)26-6-2)15(16)12-7-9-13(27-4)10-8-12/h7-10,15-17,24H,5-6,11H2,1-4H3
InChIKey
LYAQGMNUNZHKRV-UHFFFAOYSA-N
Synonyms
1005148-15-1
1005148151
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)SC
DIETHYL4HYDROXY4METHYL2(4(METHYLSULFANYL)PHENYL)6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl4hydroxy4methyl2(4(methylsulfanyl)phenyl)6oxocyclohexane13dicarboxylate
DIETHYL4HYDROXY4METHYL2(4(METHYLTHIO)PHENYL)6OXO13CYCLOHEXANEDICARBOXYLATE
DIETHYL4HYDROXY4METHYL2(4METHYLSULFANYLPHENYL)6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC20H26O6Sc152518(22)1614(21)1120(324)17(19(23)2662)15(16)127913(274)10812h710151724H5611H214H3
MFCD03020325
ZINC000004476995
ZINC000013153473

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Available files

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