Vitas-M small molecule compound
diethyl 4-hydroxy-4-methyl-2-(5-methylthiophen-2-yl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL444529
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(s1)C)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 C18H24O6S MW 368.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24O6S/c1-5-23-16(20)13-11(19)9-18(4,22)15(17(21)24-6-2)14(13)12-8-7-10(3)25-12/h7-8,13-15,22H,5-6,9H2,1-4H3InChIKey
JMSMAPVNUUZKDR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(S2)C
DIETHYL(1R2S3S4S)4HYDROXY4METHYL2(5METHYLTHIOPHEN2YL)6OXOCYCLOHEXANE13DICARBOXYLATE
DIETHYL4HYDROXY4METHYL2(5METHYL2THIENYL)6OXO13CYCLOHEXANEDICARBOXYLATE
DIETHYL4HYDROXY4METHYL2(5METHYLTHIEN2YL)6OXOCYCLOHEXANE13DICARBOXYLATE
diethyl4hydroxy4methyl2(5methylthiophen2yl)6oxocyclohexane13dicarboxylate
InChI=1SC18H24O6Sc152316(20)1311(19)918(422)15(17(21)2462)14(13)128710(3)2512h78131522H569H214H3
MFCD03616965
ZINC000004196801
ZINC000013153254
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