Vitas-M small molecule compound
7-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804452
SMILES Brc1ccc(cc1)Cn1c(Oc2cc(C)c(c(c2)C)Cl)nc2c1c(=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 C22H20BrClN4O3 MW 503.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrClN4O3/c1-12-9-16(10-13(2)17(12)24)31-21-25-19-18(20(29)27(4)22(30)26(19)3)28(21)11-14-5-7-15(23)8-6-14/h5-10H,11H2,1-4H3InChIKey
JGIGQIQJJFKCFR-UHFFFAOYSA-NSynonyms
317841-53-5317841535
7((4BROMOPHENYL)METHYL)8(4CHLORO35DIMETHYLPHENOXY)13DIMETHYLPURINE26DIONE
7(4bromobenzyl)8(4chloro35dimethylphenoxy)13dimethyl1Hpurine26(3H7H)dione
7(4bromobenzyl)8(4chloro35dimethylphenoxy)13dimethyl37dihydro1Hpurine26dione
CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C
InChI=1SC22H20BrClN4O3c112916(1013(2)17(12)24)3121251918(20(29)27(4)22(30)26(19)3)28(21)11145715(23)8614h510H11H214H3
MFCD01556267
ZINC000008934442
ZINC08934442
ZINC8934442
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