Vitas-M small molecule compound
ethyl 2-{4-[5-(benzylcarbamoyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl]-2-bromo-6-methoxyphenoxy}propanoate
Catalog ID
STL181549
SMILES CCOC(=O)C(Oc1c(Br)cc(cc1OC)C1NC(=O)NC(=C1C(=O)NCc1ccccc1)C)C
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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 C25H28BrN3O6 MW 546.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrN3O6/c1-5-34-24(31)15(3)35-22-18(26)11-17(12-19(22)33-4)21-20(14(2)28-25(32)29-21)23(30)27-13-16-9-7-6-8-10-16/h6-12,15,21H,5,13H2,1-4H3,(H,27,30)(H2,28,29,32)InChIKey
ADQFIGPERIBNRK-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C)OC1=C(C=C(C=C1Br)C2C(=C(NC(=O)N2)C)C(=O)NCC3=CC=CC=C3)OC
ethyl2(4(5(benzylcarbamoyl)6methyl2oxo1234tetrahydropyrimidin4yl)2bromo6methoxyphenoxy)propanoate
ethyl2(4(5(benzylcarbamoyl)6methyl2oxo34dihydro1Hpyrimidin4yl)2bromo6methoxyphenoxy)propanoate
InChI=1SC25H28BrN3O6c153424(31)15(3)352218(26)1117(1219(22)334)2120(14(2)2825(32)2921)23(30)27131697681016h6121521H513H214H3(H2730)(H2282932)
MFCD06196476
ZINC000098046108
ZINC000098046111
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