Vitas-M small molecule compound

dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK841339
SMILES COc1ccc(cc1)C1C(C(=O)OC(C)C)C(=O)CC(C1C(=O)OC(C)C)(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 C22H30O7 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O7/c1-12(2)28-20(24)18-16(23)11-22(5,26)19(21(25)29-13(3)4)17(18)14-7-9-15(27-6)10-8-14/h7-10,12-13,17-19,26H,11H2,1-6H3
InChIKey
IMKXAEVDHUDFDQ-UHFFFAOYSA-N
Synonyms
472981-86-5
472981865
CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)OC
DIISOPROPYL4HYDROXY2(4METHOXYPHENYL)4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diisopropyl4hydroxy2(4methoxyphenyl)4methyl6oxocyclohexane13dicarboxylate
DIPROPAN2YL(1R2S3S4R)4HYDROXY2(4METHOXYPHENYL)4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
dipropan2yl4hydroxy2(4methoxyphenyl)4methyl6oxocyclohexane13dicarboxylate
InChI=1SC22H30O7c112(2)2820(24)1816(23)1122(526)19(21(25)2913(3)4)17(18)147915(276)10814h7101213171926H11H216H3
METHYLETHYL2HYDROXY6(4METHOXYPHENYL)2METHYL5((METHYLETHYL)OXYCARBONYL)4OXOCYCLOHEXANECARBOXYLATE
MFCD02046556
ZINC000000856664
ZINC000239310492

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Available files

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