Vitas-M small molecule compound
3-methyl-7-(3-methylbutyl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL321053
SMILES CC(CCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]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 C18H21N7O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4/c1-11(2)7-8-24-14-15(23(3)18(27)21-16(14)26)20-17(24)22-19-10-12-5-4-6-13(9-12)25(28)29/h4-6,9-11H,7-8H2,1-3H3,(H,20,22)(H,21,26,27)/b19-10+InChIKey
PFTGPBDAVCKWPQ-VXLYETTFSA-NSynonyms
300590-25-4(E)7isopentyl3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
300590254
3methyl7(3methylbutyl)8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
3methyl7(3methylbutyl)8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
8(((1E)2(3NITROPHENYL)1AZAVINYL)AMINO)3METHYL7(3METHYLBUTYL)137TRIHYDROPURINE26DIONE
CC(C)CCN1C2=C(N=C1NN=CC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
CC(CCn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C)C
InChI=1SC18H21N7O4c111(2)78241415(23(3)18(27)2116(14)26)2017(24)2219101254613(912)25(28)29h46911H78H213H3(H2022)(H212627)b1910+
MFCD01077297
ZINC000006015085
ZINC33921311
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