SARS-CoV-2 Mpro-IN-14

Category	SARS-CoV
CAS	2679814-93-6

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Synonyms	CHEMBL4861071;GTPL11615;compound 19 [Zhang et al., 2021];compound 19 [PMID: 33786375];(5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione;2679814-93-6;5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;XEK;
IUPAC Name	5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1-methylpyrimidine-2,4-dione
Molecular Weight	487.5
Molecular Formula	C24H26FN3O5S
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)F)N3C=CC(=O)NC3=O
InChI	InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)
InChIKey	KIJKUSPNZALBLD-UHFFFAOYSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.