Vitas-M small molecule compound
ethyl 6-(4-chlorophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-carboxylate
Catalog ID
STL328398
SMILES CCOC(=O)C1(C)C(=O)OC(C(C1=O)(C)C)c1ccc(cc1)Cl
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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 C17H19ClO5 MW 338.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClO5/c1-5-22-14(20)17(4)13(19)16(2,3)12(23-15(17)21)10-6-8-11(18)9-7-10/h6-9,12H,5H2,1-4H3InChIKey
JKRTUIPCACRERD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1(C(=O)C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C)C
ETHYL6(4CHLOROPHENYL)355TRIMETHYL24DIOXOOXANE3CARBOXYLATE
ethyl6(4chlorophenyl)355trimethyl24dioxotetrahydro2Hpyran3carboxylate
InChI=1SC17H19ClO5c152214(20)17(4)13(19)16(23)12(2315(17)21)106811(18)9710h6912H5H214H3
MFCD02163236
ZINC000003901099
ZINC000003901102
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