Vitas-M small molecule compound
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK592053
SMILES CC(=O)C(n1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)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 C22H27FN6O3 MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN6O3/c1-14(15(2)30)29-18(24-20-19(29)21(31)26(4)22(32)25(20)3)13-27-9-11-28(12-10-27)17-7-5-16(23)6-8-17/h5-8,14H,9-13H2,1-4H3InChIKey
KQRBHBIEQVNESQ-UHFFFAOYSA-NSynonyms
876709-94-38((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl7(3oxobutan2yl)1Hpurine26(3H7H)dione
8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl7(3oxobutan2yl)37dihydro1Hpurine26dione
8((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3OXOBUTAN2YL)PURINE26DIONE
8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(1METHYL2OXOPROPYL)137TRIHYDROPURINE26DIONE
876709943
CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F
InChI=1SC22H27FN6O3c114(15(2)30)2918(242019(29)21(31)26(4)22(32)25(20)3)132791128(121027)177516(23)6817h5814H913H214H3
MFCD06601849
ZINC000057122027
ZINC000057122028
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