Vitas-M small molecule compound
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK073502
SMILES OC(Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1
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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 C22H21N7O6 MW 479.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O6/c1-27-19-18(20(31)25-22(27)32)28(12-16(30)13-35-17-8-3-2-4-9-17)21(24-19)26-23-11-14-6-5-7-15(10-14)29(33)34/h2-11,16,30H,12-13H2,1H3,(H,24,26)(H,25,31,32)/b23-11+InChIKey
GQJJEPDLUKLMFT-FOKLQQMPSA-NSynonyms
371228-16-9(E)7(2hydroxy3phenoxypropyl)3methyl8(2(3nitrobenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
371228169
7(2hydroxy3phenoxypropyl)3methyl8((2E)2((3nitrophenyl)methylidene)hydrazinyl)purine26dione
7(2HYDROXY3PHENOXYPROPYL)3METHYL8((2E)2(3NITROBENZYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)(N+)(=O)(O))CC(COC4=CC=CC=C4)O
InChI=1SC22H21N7O6c1271918(20(31)2522(27)32)28(1216(30)1335178324917)21(2419)2623111465715(1014)29(33)34h2111630H1213H21H3(H2426)(H253132)b2311+
MFCD01051190
OC(Cn1c(NN=Cc2cccc(c2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
STK073502
ZINC000008926279
ZINC000016946036
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.