Vitas-M small molecule compound

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

Catalog ID
STL444533
SMILES CCCOc1ccc(cc1)C1C(C(=O)OCC)C(=O)CC(C1C(=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 C22H30O7 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O7/c1-5-12-29-15-10-8-14(9-11-15)17-18(20(24)27-6-2)16(23)13-22(4,26)19(17)21(25)28-7-3/h8-11,17-19,26H,5-7,12-13H2,1-4H3
InChIKey
SNBBMVIZPATJKD-UHFFFAOYSA-N
Synonyms
1005148-03-7
1005148037
CCCOC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC
DIETHYL(1S2R3R4S)4HYDROXY4METHYL6OXO2(4PROPOXYPHENYL)CYCLOHEXANE13DICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2(4PROPOXYPHENYL)13CYCLOHEXANEDICARBOXYLATE
diethyl4hydroxy4methyl6oxo2(4propoxyphenyl)cyclohexane13dicarboxylate
InChI=1SC22H30O7c1512291510814(91115)1718(20(24)2762)16(23)1322(426)19(17)21(25)2873h811171926H571213H214H3
MFCD03020323
ZINC000004476981
ZINC000245343585

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Available files

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