Vitas-M small molecule compound
7-(3,4-diethoxybenzyl)-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK679753
SMILES CCOc1cc(ccc1OCC)Cn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)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 C30H35FN6O5S MW 610.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35FN6O5S/c1-5-41-23-12-7-20(17-24(23)42-6-2)18-37-26-27(33(3)30(40)34(4)28(26)39)32-29(37)43-19-25(38)36-15-13-35(14-16-36)22-10-8-21(31)9-11-22/h7-12,17H,5-6,13-16,18-19H2,1-4H3InChIKey
XKWFRRXAQVUNCR-UHFFFAOYSA-NSynonyms
7((34DIETHOXYPHENYL)METHYL)8(2(4(4FLUOROPHENYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL13DIMETHYLPURINE26DIONE
7(34diethoxybenzyl)8((2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)F)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC30H35FN6O5Sc15412312720(1724(23)4262)18372627(33(3)30(40)34(4)28(26)39)3229(37)431925(38)36151335(141636)2210821(31)91122h71217H5613161819H214H3
MFCD03765945
ZINC000098005109
ZINC98005109
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