Vitas-M small molecule compound

7-(3-bromobenzyl)-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL296007
SMILES COc1ccc(cc1)Oc1nc2c(n1Cc1cccc(c1)Br)c(=O)n(c(=O)n2C)C

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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 C21H19BrN4O4 MW 471.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O4/c1-24-18-17(19(27)25(2)21(24)28)26(12-13-5-4-6-14(22)11-13)20(23-18)30-16-9-7-15(29-3)8-10-16/h4-11H,12H2,1-3H3
InChIKey
DMQHBLITWVZVON-UHFFFAOYSA-N
Synonyms
359710-11-5
359710115
7((3BROMOPHENYL)METHYL)8(4METHOXYPHENOXY)13DIMETHYLPURINE26DIONE
7(3bromobenzyl)8(4methoxyphenoxy)13dimethyl1Hpurine26(3H7H)dione
7(3bromobenzyl)8(4methoxyphenoxy)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC)CC4=CC(=CC=C4)Br
InChI=1SC21H19BrN4O4c1241817(19(27)25(2)21(24)28)26(121354614(22)1113)20(2318)30169715(293)81016h411H12H213H3
MFCD01554141
ZINC000002257404
ZINC02257404
ZINC2257404

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Available files

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