Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK025917
SMILES Clc1ccc(cc1)OCC(Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C)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 C22H20ClN7O6 MW 513.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN7O6/c1-28-19-18(20(32)26-22(28)33)29(11-16(31)12-36-17-7-5-14(23)6-8-17)21(25-19)27-24-10-13-3-2-4-15(9-13)30(34)35/h2-10,16,31H,11-12H2,1H3,(H,25,27)(H,26,32,33)/b24-10+
InChIKey
IRVDEUJYCXRLAM-YSURURNPSA-N
Synonyms
329709-56-0
(E)7(3(4chlorophenoxy)2hydroxypropyl)3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
329709560
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8((2E)2(3NITROBENZYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
Clc1ccc(cc1)OCC(Cn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C)O
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC22H20ClN7O6c1281918(20(32)2622(28)33)29(1116(31)1236177514(23)6817)21(2519)2724101332415(913)30(34)35h2101631H1112H21H3(H2527)(H263233)b2410+
MFCD01555190
STK025917
ZINC000005351442
ZINC000008921022

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Available files

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