Vitas-M small molecule compound
8,8'-(ethane-1,2-diyldisulfanediyl)bis{7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one}
Catalog ID
STL046403
SMILES OC(Cn1c(SCCSc2nc3c(n2CC(COc2ccc(cc2)Cl)O)c(O)nc(=O)n3C)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)Cl
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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 C32H32Cl2N8O8S2 MW 791.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32Cl2N8O8S2/c1-39-25-23(27(45)37-29(39)47)41(13-19(43)15-49-21-7-3-17(33)4-8-21)31(35-25)51-11-12-52-32-36-26-24(28(46)38-30(48)40(26)2)42(32)14-20(44)16-50-22-9-5-18(34)6-10-22/h3-10,19-20,43-44H,11-16H2,1-2H3,(H,37,45,47)(H,38,46,48)InChIKey
VBUPLRXPEUFQAP-UHFFFAOYSA-NSynonyms
MFCD04078771
ZINC000150452217
ZINC000150452224
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