Vitas-M small molecule compound

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

Catalog ID
STK834953
SMILES CCOC(=O)CCn1c(=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 C18H19BrN4O4 MW 435.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O4/c1-3-27-13(24)9-10-22-16(25)14-15(21(2)18(22)26)20-17(19)23(14)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKey
LBRKUHRIKDEJJJ-UHFFFAOYSA-N
Synonyms
114145-32-3
114145323
CCOC(=O)CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C
ethyl3(7benzyl8bromo3methyl26dioxo2367tetrahydro1Hpurin1yl)propanoate
ETHYL3(7BENZYL8BROMO3METHYL26DIOXOPURIN1YL)PROPANOATE
InChI=1SC18H19BrN4O4c132713(24)9102216(25)1415(21(2)18(22)26)2017(19)23(14)11127546812h48H3911H212H3
MFCD00687877
ZINC000000629654
ZINC00629654
ZINC629654

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Available files

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