Vitas-M small molecule compound
ethyl 5,5-dimethyl-2-oxo-4-[1-oxo-1-(2,4,6-trimethylphenyl)butan-2-yl]tetrahydrofuran-3-carboxylate
Catalog ID
STL342547
SMILES CCOC(=O)C1C(=O)OC(C1C(C(=O)c1c(C)cc(cc1C)C)CC)(C)C
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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 C22H30O5 MW 374.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O5/c1-8-15(19(23)16-13(4)10-12(3)11-14(16)5)18-17(20(24)26-9-2)21(25)27-22(18,6)7/h10-11,15,17-18H,8-9H2,1-7H3InChIKey
AUGICTWZDMWTJI-UHFFFAOYSA-NSynonyms
847453-77-455DIMETHYL2OXO4(1(246TRIMETHYLBENZOYL)PROPYL)TETRAHYDROFURAN3CARBOXYLICACIDETHYLESTER
847453774
CCC(C1C(C(=O)OC1(C)C)C(=O)OCC)C(=O)C2=C(C=C(C=C2C)C)C
ethyl4(1mesityl1oxobutan2yl)55dimethyl2oxotetrahydrofuran3carboxylate
ETHYL55DIMETHYL2OXO4(1OXO1(246TRIMETHYLPHENYL)BUTAN2YL)OXOLANE3CARBOXYLATE
ethyl55dimethyl2oxo4(1oxo1(246trimethylphenyl)butan2yl)tetrahydrofuran3carboxylate
InChI=1SC22H30O5c1815(19(23)1613(4)1012(3)1114(16)5)1817(20(24)2692)21(25)2722(186)7h1011151718H89H217H3
MFCD04156108
ZINC000004623015
ZINC000004686194
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