Vitas-M small molecule compound
7-(4-fluorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Catalog ID
STK606591
SMILES CC(=C)CN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C
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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 C21H25FN6O2 MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN6O2/c1-14(2)12-26-8-10-27(11-9-26)20-23-18-17(19(29)24-21(30)25(18)3)28(20)13-15-4-6-16(22)7-5-15/h4-7H,1,8-13H2,2-3H3,(H,24,29,30)InChIKey
ILSLKEKEOPQSGL-UHFFFAOYSA-NSynonyms
878431-41-57((4FLUOROPHENYL)METHYL)3METHYL8(4(2METHYLPROP2ENYL)PIPERAZIN1YL)PURINE26DIONE
7(4FLUOROBENZYL)3METHYL8(4(2METHYLALLYL)PIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(4fluorobenzyl)6hydroxy3methyl8(4(2methylprop2en1yl)piperazin1yl)37dihydro2Hpurin2one
CC(=C)CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C
InChI=1SC21H25FN6O2c114(2)122681027(11926)20231817(19(29)2421(30)25(18)3)28(20)13154616(22)7515h47H1813H223H3(H242930)
MFCD08732101
ZINC000004316529
ZINC4316529
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