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N-(1,3-benzodioxol-5-yl)-2-[(5E)-5-(4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Catalog ID
STL380747
SMILES COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2

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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 C34H26Cl2N6O9S MW 765.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26Cl2N6O9S/c1-39-29-28(31(45)40(2)33(39)46)41(14-18-5-6-19(35)12-21(18)36)32(38-29)51-23-8-4-17(10-24(23)48-3)11-26-30(44)42(34(47)52-26)15-27(43)37-20-7-9-22-25(13-20)50-16-49-22/h4-13H,14-16H2,1-3H3,(H,37,43)/b26-11+
InChIKey
XWGREDFFIRGWCQ-KBKYJPHKSA-N
Synonyms

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)C=C4C(=O)N(C(=O)S4)CC(=O)NC5=CC6=C(C=C5)OCO6)OC)CC7=C(C=C(C=C7)Cl)Cl
COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC34H26Cl2N6O9Sc1392928(31(45)40(2)33(39)46)41(14185619(35)1221(18)36)32(3829)51238417(1024(23)483)112630(44)42(34(47)5226)1527(43)3720792225(1320)50164922h413H1416H213H3(H3743)b2611+
MFCD03905913
N(13benzodioxol5yl)2((5E)5((4(7((24dichlorophenyl)methyl)13dimethyl26dioxopurin8yl)oxy3methoxyphenyl)methylidene)24dioxo13thiazolidin3yl)acetamide
N(13benzodioxol5yl)2((5E)5(4((7(24dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)3methoxybenzylidene)24dioxo13thiazolidin3yl)acetamide
ZINC000150385511
ZINC150385511

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Available files

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