Vitas-M small molecule compound
1-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL297862
SMILES Brc1ccc(cc1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)Oc1cc(C)c(c(c1)C)Cl
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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(26(21)3)20(29)28(22(30)27(19)4)11-14-5-7-15(23)8-6-14/h5-10H,11H2,1-4H3InChIKey
DTOPFLZJNXJQKG-UHFFFAOYSA-NSynonyms
369605-88-91((4BROMOPHENYL)METHYL)8(4CHLORO35DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(4bromobenzyl)8(4chloro35dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1(4bromobenzyl)8(4chloro35dimethylphenoxy)37dimethyl37dihydro1Hpurine26dione
369605889
CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br
InChI=1SC22H20BrClN4O3c112916(1013(2)17(12)24)3121251918(26(21)3)20(29)28(22(30)27(19)4)11145715(23)8614h510H11H214H3
MFCD01555944
ZINC000008934211
ZINC08934211
ZINC8934211
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