Vitas-M small molecule compound
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK588311
SMILES COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)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 C23H30N6O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N6O4/c1-15(16(2)30)29-19(24-21-20(29)22(31)26(4)23(32)25(21)3)14-27-10-12-28(13-11-27)17-6-8-18(33-5)9-7-17/h6-9,15H,10-14H2,1-5H3InChIKey
MJUFUFCODGSLDB-UHFFFAOYSA-NSynonyms
868146-88-78((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3OXOBUTAN2YL)1HPURINE26(3H7H)DIONE
8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl7(3oxobutan2yl)37dihydro1Hpurine26dione
8((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3OXOBUTAN2YL)PURINE26DIONE
8((4(4METHOXYPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(1METHYL2OXOPROPYL)137TRIHYDROPURINE26DIONE
8(4(4METHOXYPHENYL)PIPERAZIN1YLMETHYL)13DIMETHYL7(1METHYL2OXOPROPYL)37DIHYDROPURINE26DIONE
868146887
CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC
InChI=1SC23H30N6O4c115(16(2)30)2919(242120(29)22(31)26(4)23(32)25(21)3)1427101228(131127)176818(335)9717h6915H1014H215H3
MFCD05884893
ZINC000055558869
ZINC000055558871
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.