Vitas-M small molecule compound

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

Catalog ID
STK635286
SMILES C/C(=N\Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)/c1cccc(c1)[N+](=O)[O-]

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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 C28H25N7O4 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N7O4/c1-19(22-14-9-15-23(16-22)35(38)39)30-31-27-29-25-24(33(27)17-20-10-5-3-6-11-20)26(36)34(28(37)32(25)2)18-21-12-7-4-8-13-21/h3-16H,17-18H2,1-2H3,(H,29,31)/b30-19+
InChIKey
SEFKKEBCHRLWBZ-NDZAJKAJSA-N
Synonyms
300804-46-0
(E)17dibenzyl3methyl8(2(1(3nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
17dibenzyl3methyl8((2E)2(1(3nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
17dibenzyl3methyl8((2E)2(1(3nitrophenyl)ethylidene)hydrazinyl)purine26dione
300804460
CC(=NNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
CC(=NNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC28H25N7O4c119(221491523(1622)35(38)39)303127292524(33(27)1720105361120)26(36)34(28(37)32(25)2)1821127481321h316H1718H212H3(H2931)b3019+
MFCD00690175
ZINC000008926262
ZINC34261647

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Available files

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