Vitas-M small molecule compound
8-{4-[(E)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL380751
SMILES COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C\1/SC(=O)N(C1=O)Cc1ccccc1
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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 C32H25Cl2N5O6S MW 678.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25Cl2N5O6S/c1-36-27-26(29(41)37(2)31(36)42)38(17-20-10-11-21(33)15-22(20)34)30(35-27)45-23-12-9-19(13-24(23)44-3)14-25-28(40)39(32(43)46-25)16-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3/b25-14+InChIKey
DFPYTZMMKDNFEE-AFUMVMLFSA-NSynonyms
(5E)3benzyl5((4(7((24dichlorophenyl)methyl)13dimethyl26dioxopurin8yl)oxy3methoxyphenyl)methylidene)13thiazolidine24dione
8(4((E)(3benzyl24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)7(24dichlorobenzyl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)C=C4C(=O)N(C(=O)S4)CC5=CC=CC=C5)OC)CC6=C(C=C(C=C6)Cl)Cl
COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)C=C1SC(=O)N(C1=O)Cc1ccccc1
InChI=1SC32H25Cl2N5O6Sc1362726(29(41)37(2)31(36)42)38(1720101121(33)1522(20)34)30(3527)452312919(1324(23)443)142528(40)39(32(43)4625)16187546818h415H1617H213H3b2514+
MFCD03905917
ZINC000150353589
ZINC150353589
Check stock
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