Vitas-M small molecule compound
methyl (2E)-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-2-(4-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702842
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)/c(=C\c1ccc(cc1)I)/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 C27H19IN2O6S MW 626.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19IN2O6S/c1-15-22(26(33)34-2)23(17-7-11-19(12-8-17)36-25(32)20-4-3-13-35-20)30-24(31)21(37-27(30)29-15)14-16-5-9-18(28)10-6-16/h3-14,23H,1-2H3/b21-14+InChIKey
CHDXDSCZYMMXQW-KGENOOAVSA-NSynonyms
(E)methyl5(4((furan2carbonyl)oxy)phenyl)2(4iodobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)I)SC2=N1)C4=CC=C(C=C4)OC(=O)C5=CC=CO5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=Cc1ccc(cc1)I)s2
InChI=1SC27H19IN2O6Sc11522(26(33)342)23(1771119(12817)3625(32)2043133520)3024(31)21(3727(30)2915)14165918(28)10616h31423H12H3b2114+
methyl(2E)5(4((furan2ylcarbonyl)oxy)phenyl)2(4iodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4(furan2carbonyloxy)phenyl)2((4iodophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02990318
ZINC000150397923
ZINC000150397927
Check stock
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Check stock on Vitas-MAvailable files
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