Vitas-M small molecule compound
ethyl (2E)-5-(4-bromophenyl)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407012
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1ccc(cc1)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 C23H18BrClN2O3S MW 517.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrClN2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)15-6-8-16(24)9-7-15)21(28)18(31-23)12-14-4-10-17(25)11-5-14/h4-12,20H,3H2,1-2H3/b18-12+InChIKey
KGVUQULEBDCREM-LDADJPATSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccc(cc1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC=C(C=C4)Cl)S2)C
ethyl(2E)5(4bromophenyl)2((4chlorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4bromophenyl)2(4chlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H18BrClN2O3Sc133022(29)1913(2)262327(20(19)156816(24)9715)21(28)18(3123)121441017(25)11514h41220H3H212H3b1812+
MFCD02166233
ZINC000014396115
ZINC000014396116
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