Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-2-(3,5-dichloro-2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK073933
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cc(Cl)cc(c1O)Cl)/s2
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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 C23H17Cl3N2O4S MW 523.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl3N2O4S/c1-3-32-22(31)18-11(2)27-23-28(19(18)12-4-6-14(24)7-5-12)21(30)17(33-23)9-13-8-15(25)10-16(26)20(13)29/h4-10,19,29H,3H2,1-2H3/b17-9+InChIKey
GRDPDVPHQLGLLD-RQZCQDPDSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(Cl)cc(c1O)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=CC(=C4O)Cl)Cl)S2)C
ethyl(2E)5(4chlorophenyl)2((35dichloro2hydroxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4CHLOROPHENYL)2(35DICHLORO2HYDROXYBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H17Cl3N2O4Sc133222(31)1811(2)272328(19(18)124614(24)7512)21(30)17(3323)913815(25)1016(26)20(13)29h4101929H3H212H3b179+
MFCD08672812
STK073933
ZINC000006487686
ZINC000006487705
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