Vitas-M small molecule compound

ethyl 4-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate

Catalog ID
STK778852
SMILES CCOC(=O)C1C(=O)OC(C1C(C(=O)c1ccc(cc1C)C)C)(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 C20H26O5 MW 346.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26O5/c1-7-24-18(22)15-16(20(5,6)25-19(15)23)13(4)17(21)14-9-8-11(2)10-12(14)3/h8-10,13,15-16H,7H2,1-6H3
InChIKey
BMEYCXVAQSYVPR-UHFFFAOYSA-N
Synonyms

3FURANCARBOXYLICACID4(2(24DIMETHYLPHENYL)1METHYL2OXOETHYL)TETRAHYDRO55DIMETHYL2OXOETHYLESTER
4(1(24DIMETHYLPHENYL)1OXOPROPAN2YL)55DIMETHYL2OXO3OXOLANECARBOXYLICACIDETHYLESTER
4(2(24DIMETHYLPHENYL)2KETO1METHYLETHYL)2KETO55DIMETHYLTETRAHYDROFURAN3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1C(C(OC1=O)(C)C)C(C)C(=O)C2=C(C=C(C=C2)C)C
ETHYL4(1(24DIMETHYLPHENYL)1OXIDANYLIDENEPROPAN2YL)55DIMETHYL2OXIDANYLIDENEOXOLANE3CARBOXYLATE
ETHYL4(1(24DIMETHYLPHENYL)1OXOPROPAN2YL)55DIMETHYL2OXOOXOLANE3CARBOXYLATE
ethyl4(1(24dimethylphenyl)1oxopropan2yl)55dimethyl2oxotetrahydrofuran3carboxylate
ETHYL4(2(24DIMETHYLPHENYL)1METHYL2OXOETHYL)55DIMETHYL2OXOTETRAHYDRO3FURANCARBOXYLATE
InChI=1SC20H26O5c172418(22)1516(20(56)2519(15)23)13(4)17(21)149811(2)1012(14)3h810131516H7H216H3
MFCD05857203
ZINC000001117128
ZINC000101922656

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.