Vitas-M small molecule compound
7-(2,3-dihydroxypropyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK591621
SMILES OCC(Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)O
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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 C21H27FN6O4 MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN6O4/c1-24-19-18(20(31)25(2)21(24)32)28(11-16(30)13-29)17(23-19)12-26-7-9-27(10-8-26)15-5-3-14(22)4-6-15/h3-6,16,29-30H,7-13H2,1-2H3InChIKey
AEPSAHWFPCARSN-UHFFFAOYSA-NSynonyms
893944-90-67(23dihydroxypropyl)8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(23dihydroxypropyl)8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
7(23DIHYDROXYPROPYL)8((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7(23DIHYDROXYPROPYL)8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
893944906
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC(CO)O
InChI=1SC21H27FN6O4c1241918(20(31)25(2)21(24)32)28(1116(30)1329)17(2319)12267927(10826)155314(22)4615h36162930H713H212H3
MFCD06611317
ZINC000057121267
ZINC000057121269
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