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-N
Synonyms
332103-66-9
332103669
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

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Available files

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