Vitas-M small molecule compound

1,7-dibenzyl-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528993
SMILES [O-][N+](=O)c1cccc(c1)/C=N/Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

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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 C27H23N7O4 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N7O4/c1-31-24-23(25(35)33(27(31)36)18-20-11-6-3-7-12-20)32(17-19-9-4-2-5-10-19)26(29-24)30-28-16-21-13-8-14-22(15-21)34(37)38/h2-16H,17-18H2,1H3,(H,29,30)/b28-16+
InChIKey
INMGBRMBINLCSY-LQKURTRISA-N
Synonyms
304871-10-1
(E)17dibenzyl3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
(O)(N+)(=O)c1cccc(c1)C=NNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1
17dibenzyl3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
17dibenzyl3methyl8((2E)2(3nitrobenzylidene)hydrazinyl)37dihydro1Hpurine26dione
304871101
8(((1E)2(3NITROPHENYL)1AZAVINYL)AMINO)17BISBENZYL3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NN=CC4=CC(=CC=C4)(N+)(=O)(O))CC5=CC=CC=C5
InChI=1SC27H23N7O4c1312423(25(35)33(27(31)36)1820116371220)32(171994251019)26(2924)302816211381422(1521)34(37)38h216H1718H21H3(H2930)b2816+
MFCD00690171
ZINC000008926122
ZINC33334842

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.