Vitas-M small molecule compound

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

Catalog ID
STL444538
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(cc1)NC(=O)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 C21H27NO7 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO7/c1-5-28-19(25)17-15(24)11-21(4,27)18(20(26)29-6-2)16(17)13-7-9-14(10-8-13)22-12(3)23/h7-10,16-18,27H,5-6,11H2,1-4H3,(H,22,23)
InChIKey
SWCVXGVAEYQOLS-UHFFFAOYSA-N
Synonyms
1005138-20-4
1005138204
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)NC(=O)C
DIETHYL2(4(ACETYLAMINO)PHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(4(acetylamino)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIETHYL2(4ACETAMIDOPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC21H27NO7c152819(25)1715(24)1121(427)18(20(26)2962)16(17)137914(10813)2212(3)23h710161827H5611H214H3(H2223)
MFCD03020326
ZINC000004476988
ZINC000013153796

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Available files

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