Vitas-M small molecule compound
ethyl (2E)-2-[2-(acetyloxy)-5-bromobenzylidene]-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK726634
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1cc(Br)ccc1OC(=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 C28H25BrN2O8S MW 629.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O8S/c1-6-37-27(35)24-14(2)30-28-31(25(24)17-7-9-21(39-16(4)33)22(12-17)36-5)26(34)23(40-28)13-18-11-19(29)8-10-20(18)38-15(3)32/h7-13,25H,6H2,1-5H3/b23-13+InChIKey
KKXHDPRNCZFBDH-YDZHTSKRSA-NSynonyms
(E)ethyl5(4acetoxy3methoxyphenyl)2(2acetoxy5bromobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cc(Br)ccc1OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=C(C=CC(=C4)Br)OC(=O)C)S2)C
ethyl(2E)2((2acetyloxy5bromophenyl)methylidene)5(4acetyloxy3methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(2(acetyloxy)5bromobenzylidene)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H25BrN2O8Sc163727(35)2414(2)302831(25(24)177921(3916(4)33)22(1217)365)26(34)23(4028)13181119(29)81020(18)3815(3)32h71325H6H215H3b2313+
MFCD01162911
ZINC000097947627
ZINC000097947628
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.