Vitas-M small molecule compound
8-{4-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-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
STL380750
SMILES COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C\1/SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
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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 C33H24Cl3N5O8S MW 757.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24Cl3N5O8S/c1-38-28-27(30(43)39(2)32(38)44)40(13-17-5-6-19(34)11-20(17)35)31(37-28)49-22-7-4-16(8-23(22)46-3)9-26-29(42)41(33(45)50-26)14-18-10-24-25(12-21(18)36)48-15-47-24/h4-12H,13-15H2,1-3H3/b26-9+InChIKey
LVAPLCBINBWYFT-JQAMDZJQSA-NSynonyms
(5E)3((6chloro13benzodioxol5yl)methyl)5((4(7((24dichlorophenyl)methyl)13dimethyl26dioxopurin8yl)oxy3methoxyphenyl)methylidene)13thiazolidine24dione
8(4((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)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=CC6=C(C=C5Cl)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)Cc1cc2OCOc2cc1Cl
InChI=1SC33H24Cl3N5O8Sc1382827(30(43)39(2)32(38)44)40(13175619(34)1120(17)35)31(3728)49227416(823(22)463)92629(42)41(33(45)5026)1418102425(1221(18)36)48154724h412H1315H213H3b269+
MFCD03905916
ZINC000150385513
ZINC150385513
Check stock
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Check stock on Vitas-MAvailable files
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