Vitas-M small molecule compound
methyl [8-bromo-7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Catalog ID
STL298035
SMILES COC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1Cl)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 C16H14BrClN4O4 MW 441.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrClN4O4/c1-20-13-12(14(24)22(16(20)25)8-11(23)26-2)21(15(17)19-13)7-9-5-3-4-6-10(9)18/h3-6H,7-8H2,1-2H3InChIKey
XXGAOTSQBKOYBL-UHFFFAOYSA-NSynonyms
371936-87-7371936877
CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC3=CC=CC=C3Cl
InChI=1SC16H14BrClN4O4c1201312(14(24)22(16(20)25)811(23)262)21(15(17)1913)79534610(9)18h36H78H212H3
methyl(8bromo7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
METHYL2(8BROMO7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN1YL)ACETATE
methyl2(8bromo7(2chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
MFCD01143484
ZINC000008667132
ZINC08667132
ZINC8667132
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