Vitas-M small molecule compound

diethyl 4-hydroxy-4-methyl-6-oxo-2-(phenylethynyl)cyclohexane-1,3-dicarboxylate

Catalog ID
STL444536
SMILES CCOC(=O)C1C(=O)CC(C(C1C#Cc1ccccc1)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 C21H24O6 MW 372.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24O6/c1-4-26-19(23)17-15(12-11-14-9-7-6-8-10-14)18(20(24)27-5-2)21(3,25)13-16(17)22/h6-10,15,17-18,25H,4-5,13H2,1-3H3
InChIKey
MOXCOLXPODXBCR-UHFFFAOYSA-N
Synonyms
1005268-76-7
1005268767
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C#CC2=CC=CC=C2
DIETHYL4HYDROXY4METHYL6OXO2(2PHENYLETHYNYL)13CYCLOHEXANEDICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2(2PHENYLETHYNYL)CYCLOHEXANE13DICARBOXYLATE
diethyl4hydroxy4methyl6oxo2(phenylethynyl)cyclohexane13dicarboxylate
InChI=1SC21H24O6c142619(23)1715(12111497681014)18(20(24)2752)21(325)1316(17)22h61015171825H4513H213H3
MFCD03020332
ZINC000001410299
ZINC000016319819

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Available files

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