Vitas-M small molecule compound
8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK679745
SMILES CCOc1cc(ccc1OCC)Cn1c(Oc2ccc(cc2)Oc2ncc(cc2Cl)Cl)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 C29H27Cl2N5O6 MW 612.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27Cl2N5O6/c1-5-39-22-12-7-17(13-23(22)40-6-2)16-36-24-25(34(3)29(38)35(4)27(24)37)33-28(36)42-20-10-8-19(9-11-20)41-26-21(31)14-18(30)15-32-26/h7-15H,5-6,16H2,1-4H3InChIKey
XZIIKUJKJKXZAH-UHFFFAOYSA-NSynonyms
8(4((35dichloropyridin2yl)oxy)phenoxy)7(34diethoxybenzyl)13dimethyl37dihydro1Hpurine26dione
8(4(35DICHLOROPYRIDIN2YL)OXYPHENOXY)7((34DIETHOXYPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)OC5=C(C=C(C=N5)Cl)Cl)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC29H27Cl2N5O6c15392212717(1323(22)4062)16362425(34(3)29(38)35(4)27(24)37)3328(36)422010819(91120)412621(31)1418(30)153226h715H5616H214H3
MFCD03765923
ZINC000098005106
ZINC98005106
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