Vitas-M small molecule compound
7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK556127
SMILES Clc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])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 C21H18ClN7O4 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN7O4/c1-26-18-17(19(30)27(2)21(26)31)28(12-13-6-8-15(22)9-7-13)20(24-18)25-23-11-14-4-3-5-16(10-14)29(32)33/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+InChIKey
ICOUJXPGWXIPES-FOKLQQMPSA-NSynonyms
673491-03-7(E)7(4chlorobenzyl)13dimethyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
673491037
7((4chlorophenyl)methyl)13dimethyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(4chlorobenzyl)13dimethyl8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
Clc1ccc(cc1)Cn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CC4=CC=C(C=C4)Cl
InChI=1SC21H18ClN7O4c1261817(19(30)27(2)21(26)31)28(12136815(22)9713)20(2418)2523111443516(1014)29(32)33h311H12H212H3(H2425)b2311+
MFCD04015855
ZINC000009312946
ZINC33748914
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