Vitas-M small molecule compound
ethyl (2E)-2-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK534417
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cc(Br)c(c(c1)OC)OCc1ccc(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 C32H28BrClN2O6S MW 684.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28BrClN2O6S/c1-5-41-31(38)27-18(2)35-32-36(28(27)21-8-12-23(39-3)13-9-21)30(37)26(43-32)16-20-14-24(33)29(25(15-20)40-4)42-17-19-6-10-22(34)11-7-19/h6-16,28H,5,17H2,1-4H3/b26-16+InChIKey
HUKRJJIWIXSKEL-WGOQTCKBSA-NSynonyms
(E)ethyl2(3bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC5=CC=C(C=C5)Cl)OC)S2)C
ethyl(2E)2((3bromo4((4chlorophenyl)methoxy)5methoxyphenyl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H28BrClN2O6Sc154131(38)2718(2)353236(28(27)2181223(393)13921)30(37)26(4332)16201424(33)29(25(1520)404)42171961022(34)11719h61628H517H214H3b2616+
MFCD02163282
ZINC000097966478
ZINC000097966479
Check stock
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Check stock on Vitas-MAvailable files
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