Vitas-M small molecule compound
1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK536929
SMILES CC(=C)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 C18H19N7O4 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O4/c1-11(2)10-24-14-15(22(3)18(27)23(4)16(14)26)20-17(24)21-19-9-12-6-5-7-13(8-12)25(28)29/h5-9H,1,10H2,2-4H3,(H,20,21)/b19-9+InChIKey
MSLBAGKRIKRGLE-DJKKODMXSA-NSynonyms
372972-68-4(E)13dimethyl7(2methylallyl)8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
13dimethyl7(2methylprop2en1yl)8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
13dimethyl7(2methylprop2enyl)8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
372972684
CC(=C)Cn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)n(c(=O)n2C)C
CC(=C)CN1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
InChI=1SC18H19N7O4c111(2)10241415(22(3)18(27)23(4)16(14)26)2017(24)211991265713(812)25(28)29h59H110H224H3(H2021)b199+
MFCD01955094
ZINC000016946055
ZINC33333536
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