Vitas-M small molecule compound
7-(2-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK584450
SMILES COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1F)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 C26H29FN6O3 MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN6O3/c1-29-24-23(25(34)30(2)26(29)35)33(16-18-6-4-5-7-21(18)27)22(28-24)17-31-12-14-32(15-13-31)19-8-10-20(36-3)11-9-19/h4-11H,12-17H2,1-3H3InChIKey
IZDGYPXBEKQQSB-UHFFFAOYSA-NSynonyms
851939-49-67((2FLUOROPHENYL)METHYL)8((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7((2FLUOROPHENYL)METHYL)8((4(4METHOXYPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7(2fluorobenzyl)8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(2fluorobenzyl)8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
851939496
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5F
InChI=1SC26H29FN6O3c1292423(25(34)30(2)26(29)35)33(1618645721(18)27)22(2824)1731121432(151331)1981020(363)11919h411H1217H213H3
MFCD04466449
ZINC000057010892
ZINC57010892
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