Vitas-M small molecule compound
7-(4-bromobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL296006
SMILES Brc1ccc(cc1)Cn1c(Oc2ccc(c(c2)C)C)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 C22H21BrN4O3 MW 469.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3/c1-13-5-10-17(11-14(13)2)30-21-24-19-18(20(28)26(4)22(29)25(19)3)27(21)12-15-6-8-16(23)9-7-15/h5-11H,12H2,1-4H3InChIKey
YYRWYNMEEKJZDR-UHFFFAOYSA-NSynonyms
359710-44-4359710444
7((4BROMOPHENYL)METHYL)8(34DIMETHYLPHENOXY)13DIMETHYLPURINE26DIONE
7(4bromobenzyl)8(34dimethylphenoxy)13dimethyl1Hpurine26(3H7H)dione
7(4bromobenzyl)8(34dimethylphenoxy)13dimethyl37dihydro1Hpurine26dione
CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C)C
InChI=1SC22H21BrN4O3c11351017(1114(13)2)3021241918(20(28)26(4)22(29)25(19)3)27(21)12156816(23)9715h511H12H214H3
MFCD01555323
ZINC000008934407
ZINC08934407
ZINC8934407
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