Vitas-M small molecule compound
1-(4-chlorobenzyl)-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK063360
SMILES Clc1ccc(cc1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)Oc1ccc(c(c1)C)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 C22H21ClN4O3 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3/c1-13-5-10-17(11-14(13)2)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-6-8-16(23)9-7-15/h5-11H,12H2,1-4H3InChIKey
CNEDRAFPBCZTEM-UHFFFAOYSA-NSynonyms
317841-66-01((4CHLOROPHENYL)METHYL)8(34DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(4chlorobenzyl)8(34dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1(4CHLOROBENZYL)8(34DIMETHYLPHENOXY)37DIMETHYL37DIHYDRO1HPURINE26DIONE
317841660
CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl)C
Clc1ccc(cc1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)Oc1ccc(c(c1)C)C
InChI=1SC22H21ClN4O3c11351017(1114(13)2)3021241918(25(21)3)20(28)27(22(29)26(19)4)12156816(23)9715h511H12H214H3
MFCD01556281
STK063360
ZINC000008934445
ZINC08934445
ZINC8934445
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