Vitas-M small molecule compound
[2-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-4-bromophenoxy]acetonitrile
Catalog ID
STK967662
SMILES N#CCOc1ccc(cc1C1NC(=O)NC(=C1C(=O)C)C)Br
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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 C15H14BrN3O3 MW 364.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14BrN3O3/c1-8-13(9(2)20)14(19-15(21)18-8)11-7-10(16)3-4-12(11)22-6-5-17/h3-4,7,14H,6H2,1-2H3,(H2,18,19,21)InChIKey
PEJRJQUKGKLAFJ-UHFFFAOYSA-NSynonyms
444935-13-1(2(5acetyl6methyl2oxo1234tetrahydropyrimidin4yl)4bromophenoxy)acetonitrile
2(2(5ACETYL6METHYL2OXO34DIHYDRO1HPYRIMIDIN4YL)4BROMOPHENOXY)ACETONITRILE
444935131
CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OCC#N)C(=O)C
InChI=1SC15H14BrN3O3c1813(9(2)20)14(1915(21)188)11710(16)3412(11)226517h34714H6H212H3(H2181921)
MFCD02606523
ZINC000004180904
ZINC000004180905
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