Vitas-M small molecule compound
ethyl (7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
Catalog ID
STK840056
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)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 C17H17BrN4O4 MW 421.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN4O4/c1-3-26-12(23)10-22-15(24)13-14(20(2)17(22)25)19-16(18)21(13)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3InChIKey
VTKSXUMIWGYJKD-UHFFFAOYSA-NSynonyms
114145-30-1114145301
CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C
ethyl(7benzyl8bromo3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
ethyl2(7benzyl8bromo3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
ETHYL2(7BENZYL8BROMO3METHYL26DIOXOPURIN1YL)ACETATE
ETHYL2(8BROMO3METHYL26DIOXO7BENZYL137TRIHYDROPURINYL)ACETATE
InChI=1SC17H17BrN4O4c132612(23)102215(24)1314(20(2)17(22)25)1916(18)21(13)9117546811h48H3910H212H3
MFCD00229950
ZINC000000894428
ZINC00894428
ZINC894428
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