Vitas-M small molecule compound
1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK050241
SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1nc2c(n1C)c(=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 C18H21N7O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4/c1-20-14-15(21(2)18(27)22(3)16(14)26)19-17(20)24-10-8-23(9-11-24)12-4-6-13(7-5-12)25(28)29/h4-7H,8-11H2,1-3H3InChIKey
ORSGITBIWYHLPD-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)N1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)C
137trimethyl8(4(4nitrophenyl)piperazin1yl)1Hpurine26(3H7H)dione
137TRIMETHYL8(4(4NITROPHENYL)PIPERAZIN1YL)37DIHYDRO1HPURINE26DIONE
137TRIMETHYL8(4(4NITROPHENYL)PIPERAZIN1YL)37DIHYDROPURINE26DIONE
137TRIMETHYL8(4(4NITROPHENYL)PIPERAZIN1YL)PURINE26DIONE
137TRIMETHYL8(4(4NITROPHENYL)PIPERAZINYL)137TRIHYDROPURINE26DIONE
CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
InChI=1SC18H21N7O4c1201415(21(2)18(27)22(3)16(14)26)1917(20)2410823(91124)124613(7512)25(28)29h47H811H213H3
MFCD01426259
STK050241
ZINC000003998382
ZINC03998382
ZINC3998382
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