Vitas-M small molecule compound
ethyl (2Z)-2-[4-(acetyloxy)-3-iodo-5-methoxybenzylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK330859
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cc(I)c(c(c1)OC)OC(=O)C)/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 C29H29IN2O6S MW 660.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29IN2O6S/c1-7-37-28(35)24-16(4)31-29-32(25(24)20-10-8-19(9-11-20)15(2)3)27(34)23(39-29)14-18-12-21(30)26(38-17(5)33)22(13-18)36-6/h8-15,25H,7H2,1-6H3/b23-14-InChIKey
YQOSRTHJOXCXCN-UCQKPKSFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cc(I)c(c(c1)OC)OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=CC(=C(C(=C4)I)OC(=O)C)OC)S2)C
ethyl(2Z)2((4acetyloxy3iodo5methoxyphenyl)methylidene)7methyl3oxo5(4propan2ylphenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(4(acetyloxy)3iodo5methoxybenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H29IN2O6Sc173728(35)2416(4)312932(25(24)2010819(91120)15(2)3)27(34)23(3929)14181221(30)26(3817(5)33)22(1318)366h81525H7H216H3b2314
MFCD01984949
ZINC000097962634
ZINC000097962635
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.