Vitas-M small molecule compound
3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL003726
SMILES CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=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 C18H21N7O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4/c1-21-7-9-23(10-8-21)17-19-15-14(16(26)20-18(27)22(15)2)24(17)11-12-3-5-13(6-4-12)25(28)29/h3-6H,7-11H2,1-2H3,(H,20,26,27)InChIKey
BMERCNYAAJPSPL-UHFFFAOYSA-NSynonyms
332103-66-9332103669
3METHYL8(4METHYLPIPERAZIN1YL)7((4NITROPHENYL)METHYL)PURINE26DIONE
3METHYL8(4METHYLPIPERAZIN1YL)7(4NITROBENZYL)1HPURINE26(3H7H)DIONE
3methyl8(4methylpiperazin1yl)7(4nitrobenzyl)37dihydro1Hpurine26dione
3METHYL8(4METHYLPIPERAZIN1YL)7(4NITROBENZYL)37DIHYDROPURINE26DIONE
7(4NITROBENZYL)3METHYL8(4METHYL1PIPERAZINYL)37DIHYDRO1HPURINE26DIONE
CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)(N+)(=O)(O))c(=O)(nH)c(=O)n2C
CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC(=O)N3C
InChI=1SC18H21N7O4c1217923(10821)17191514(16(26)2018(27)22(15)2)24(17)11123513(6412)25(28)29h36H711H212H3(H202627)
MFCD01878489
ZINC000005313280
ZINC5313280
Check stock
See real-time availability and sample size for STL003726 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.