Vitas-M small molecule compound
1,3-dimethyl-7-(4-nitrobenzyl)-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL312912
SMILES [O-][N+](=O)c1ccc(cc1)Cn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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 C22H22N6O4 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4/c1-25-19-18(20(29)26(2)22(25)30)27(14-16-8-10-17(11-9-16)28(31)32)21(24-19)23-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,23,24)InChIKey
MRDYTAAIWFJXRU-UHFFFAOYSA-NSynonyms
953909-32-5(O)(N+)(=O)c1ccc(cc1)Cn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
13dimethyl7((4nitrophenyl)methyl)8(2phenylethylamino)purine26dione
13dimethyl7(4nitrobenzyl)8((2phenylethyl)amino)37dihydro1Hpurine26dione
13dimethyl7(4nitrobenzyl)8(phenethylamino)1Hpurine26(3H7H)dione
953909325
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H22N6O4c1251918(20(29)26(2)22(25)30)27(141681017(11916)28(31)32)21(2419)231312156435715h311H1214H212H3(H2324)
MFCD04033603
ZINC000013757868
ZINC13757868
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