Vitas-M small molecule compound
ethyl (2E)-2-(2,6-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL412294
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1c(Cl)cccc1Cl)/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 C23H18Cl2N2O3S MW 473.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)14-8-5-4-6-9-14)21(28)18(31-23)12-15-16(24)10-7-11-17(15)25/h4-12,20H,3H2,1-2H3/b18-12+InChIKey
LUITXWDVGVUMPW-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1c(Cl)cccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(C=CC=C4Cl)Cl)S2)C
ethyl(2E)2((26dichlorophenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(26dichlorobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H18Cl2N2O3Sc133022(29)1913(2)262327(20(19)148546914)21(28)18(3123)121516(24)1071117(15)25h41220H3H212H3b1812+
MFCD01162874
ZINC000016682386
ZINC000016682387
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