Vitas-M small molecule compound
7-(3-bromobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK833813
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C
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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 C21H19BrN6O3 MW 483.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN6O3/c1-27-18-17(19(29)25-21(27)30)28(12-14-4-3-5-15(22)10-14)20(24-18)26-23-11-13-6-8-16(31-2)9-7-13/h3-11H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+InChIKey
CKTSEGWNUMWPDV-FOKLQQMPSA-NSynonyms
368839-45-6(E)7(3bromobenzyl)8(2(4methoxybenzylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
368839456
7((3bromophenyl)methyl)8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)3methylpurine26dione
7(3bromobenzyl)8((2E)2(4methoxybenzylidene)hydrazinyl)3methyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC4=CC(=CC=C4)Br
COc1ccc(cc1)C=NNc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
InChI=1SC21H19BrN6O3c1271817(19(29)2521(27)30)28(121443515(22)1014)20(2418)262311136816(312)9713h311H12H212H3(H2426)(H252930)b2311+
MFCD01554483
ZINC000013231914
ZINC33698992
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