Vitas-M small molecule compound

7-(4-fluorobenzyl)-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840406
SMILES Fc1ccc(cc1)Cn1c(NCCCn2cncc2)nc2c1c(=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 C20H22FN7O2 MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN7O2/c1-25-17-16(18(29)26(2)20(25)30)28(12-14-4-6-15(21)7-5-14)19(24-17)23-8-3-10-27-11-9-22-13-27/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,23,24)
InChIKey
WAXVYZYLYSOPOA-UHFFFAOYSA-N
Synonyms

7((4FLUOROPHENYL)METHYL)8(3IMIDAZOL1YLPROPYLAMINO)13DIMETHYLPURINE26DIONE
7(4fluorobenzyl)8((3(1Himidazol1yl)propyl)amino)13dimethyl37dihydro1Hpurine26dione
8((3(1Himidazol1yl)propyl)amino)7(4fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=C(C=C4)F
InChI=1SC20H22FN7O2c1251716(18(29)26(2)20(25)30)28(12144615(21)7514)19(2417)23831027119221327h4791113H381012H212H3(H2324)
MFCD02579136
ZINC000001805067
ZINC01805067
ZINC04633649
ZINC1805067

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Available files

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