Vitas-M small molecule compound
7-(3,4-diethoxybenzyl)-1,3-dimethyl-8-{[3-(trifluoromethyl)benzyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK681232
SMILES CCOc1ccc(cc1OCC)Cn1c(SCc2cccc(c2)C(F)(F)F)nc2c1c(=O)n(C)c(=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 C26H27F3N4O4S MW 548.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3N4O4S/c1-5-36-19-11-10-16(13-20(19)37-6-2)14-33-21-22(31(3)25(35)32(4)23(21)34)30-24(33)38-15-17-8-7-9-18(12-17)26(27,28)29/h7-13H,5-6,14-15H2,1-4H3InChIKey
YKQDHSZJCDRSAL-UHFFFAOYSA-NSynonyms
7((34DIETHOXYPHENYL)METHYL)13DIMETHYL8((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)PURINE26DIONE7(34diethoxybenzyl)13dimethyl8((3(trifluoromethyl)benzyl)sulfanyl)37dihydro1Hpurine26dione
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC4=CC(=CC=C4)C(F)(F)F)N(C(=O)N(C3=O)C)C)OCC
Registry IDs
MFCD03768724ZINC000001076739
ZINC1076739
Check stock
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Check stock on Vitas-MAvailable files
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