Vitas-M small molecule compound
7-benzyl-8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK537883
SMILES Brc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccccc1)c(=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 C21H19BrN6O2 MW 467.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN6O2/c1-26-18-17(19(29)27(2)21(26)30)28(13-15-6-4-3-5-7-15)20(24-18)25-23-12-14-8-10-16(22)11-9-14/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+InChIKey
FOTILERLLQFSHM-FSJBWODESA-NSynonyms
(E)7benzyl8(2(4bromobenzylidene)hydrazinyl)13dimethyl1Hpurine26(3H7H)dione
7benzyl8((2E)2((4bromophenyl)methylidene)hydrazinyl)13dimethylpurine26dione
7benzyl8((2E)2(4bromobenzylidene)hydrazinyl)13dimethyl37dihydro1Hpurine26dione
Brc1ccc(cc1)C=NNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CC4=CC=CC=C4
InChI=1SC21H19BrN6O2c1261817(19(29)27(2)21(26)30)28(13156435715)20(2418)2523121481016(22)11914h312H13H212H3(H2425)b2312+
MFCD01959864
ZINC000009311007
ZINC62825032
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