Vitas-M small molecule compound

ethyl [8-bromo-7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate

Catalog ID
STK053702
SMILES CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)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 C17H16BrClN4O4 MW 455.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN4O4/c1-3-27-12(24)9-23-15(25)13-14(21(2)17(23)26)20-16(18)22(13)8-10-4-6-11(19)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey
VRJMIVAXWKCSPS-UHFFFAOYSA-N
Synonyms
331840-01-8
331840018
CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)Br)N(C1=O)C
CCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br
ethyl(8bromo7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
ETHYL2(8BROMO7((4CHLOROPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURINYL)ACETATE
ETHYL2(8BROMO7((4CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN1YL)ACETATE
ethyl2(8bromo7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)acetate
InChI=1SC17H16BrClN4O4c132712(24)92315(25)1314(21(2)17(23)26)2016(18)22(13)8104611(19)7510h47H389H212H3
MFCD01051231
STK053702
ZINC000000821022
ZINC00821022
ZINC821022

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.