Vitas-M small molecule compound

butyl (7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate

Catalog ID
STL322688
SMILES CCCCOC(=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 C19H21BrN4O4 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN4O4/c1-3-4-10-28-14(25)12-24-17(26)15-16(22(2)19(24)27)21-18(20)23(15)11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey
RVVONXJAJXTIKM-UHFFFAOYSA-N
Synonyms
299421-56-0
299421560
butyl(7benzyl8bromo3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
butyl2(7benzyl8bromo3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
BUTYL2(7BENZYL8BROMO3METHYL26DIOXOPURIN1YL)ACETATE
BUTYL2(8BROMO3METHYL26DIOXO7BENZYL137TRIHYDROPURINYL)ACETATE
CCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C
InChI=1SC19H21BrN4O4c134102814(25)122417(26)1516(22(2)19(24)27)2118(20)23(15)11138657913h59H341012H212H3
ZINC06530407
ZINC6530407

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Available files

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