Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(3,4-dichlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK726689
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(c(c1)Cl)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 C26H22Cl2N2O6S MW 561.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O6S/c1-5-35-25(33)22-13(2)29-26-30(23(22)16-7-9-19(36-14(3)31)20(12-16)34-4)24(32)21(37-26)11-15-6-8-17(27)18(28)10-15/h6-12,23H,5H2,1-4H3/b21-11+InChIKey
BEUIZIXARBYDTE-SRZZPIQSSA-NSynonyms
(E)ethyl5(4acetoxy3methoxyphenyl)2(34dichlorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(c(c1)Cl)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)2(34dichlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((34DICHLOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(ACETYLOXY)3METHOXYPHENYL)2(34DICHLOROBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H22Cl2N2O6Sc153525(33)2213(2)292630(23(22)167919(3614(3)31)20(1216)344)24(32)21(3726)11156817(27)18(28)1015h61223H5H214H3b2111+
MFCD01162909
ZINC000008425839
ZINC000008425840
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