Vitas-M small molecule compound

6-hydroxy-3-methyl-7-{(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK642596
SMILES [O-][N+](=O)c1ccc(cc1)/C=N/N=C/Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

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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 C20H22N8O4 MW 438.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N8O4/c1-25-17-16(18(29)24-20(25)30)27(19(23-17)26-10-3-2-4-11-26)12-9-21-22-13-14-5-7-15(8-6-14)28(31)32/h5-9,13H,2-4,10-12H2,1H3,(H,24,29,30)/b21-9+,22-13+
InChIKey
QFXMGCNFYLFUJS-PLIWVGOGSA-N
Synonyms
304870-45-9
(O)(N+)(=O)c1ccc(cc1)C=NN=CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1
304870459
3methyl7((2E)2((E)(4nitrophenyl)methylidenehydrazinylidene)ethyl)8piperidin1ylpurine26dione
6hydroxy3methyl7((2E)2((2E)(4nitrobenzylidene)hydrazinylidene)ethyl)8(piperidin1yl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NN=CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H22N8O4c1251716(18(29)2420(25)30)27(19(2317)26103241126)129212213145715(8614)28(31)32h5913H241012H21H3(H242930)b219+2213+
MFCD18163025
ZINC000008926298
ZINC35212586

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Available files

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