Vitas-M small molecule compound
7-(4-chlorobenzyl)-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK001585
SMILES Clc1ccc(cc1)Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)[nH]c(=O)n2C
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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 C21H18ClN7O4 MW 467.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN7O4/c1-12(14-5-9-16(10-6-14)29(32)33)25-26-20-23-18-17(19(30)24-21(31)27(18)2)28(20)11-13-3-7-15(22)8-4-13/h3-10H,11H2,1-2H3,(H,23,26)(H,24,30,31)/b25-12+InChIKey
JEUIMRUKUZDQPV-BRJLIKDPSA-NSynonyms
303971-43-9(E)7(4chlorobenzyl)3methyl8(2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
303971439
7((4chlorophenyl)methyl)3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)purine26dione
7(4CHLOROBENZYL)3METHYL8((2E)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)37DIHYDRO1HPURINE26DIONE
CC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)Cn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC21H18ClN7O4c112(145916(10614)29(32)33)252620231817(19(30)2421(31)27(18)2)28(20)11133715(22)8413h310H11H212H3(H2326)(H243031)b2512+
MFCD01142791
STK001585
ZINC000008809344
ZINC26580581
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.