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(2E,9bR)-6-acetyl-2-[1-({1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propyl}amino)ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL548867
SMILES CSCCC(c1onc(n1)c1ccco1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/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 C28H27N3O8S MW 565.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O8S/c1-12-22(34)20(14(3)32)24-21(23(12)35)28(4)18(38-24)11-16(33)19(25(28)36)13(2)29-15(8-10-40-5)27-30-26(31-39-27)17-7-6-9-37-17/h6-7,9,11,15,29,34-35H,8,10H2,1-5H3/b19-13+/t15?,28-/m0/s1
InChIKey
VAOQDRKNGWYNAE-KQQAKBANSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((1(3(furan2yl)124oxadiazol5yl)3methylsulfanylpropyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((1(3(furan2yl)124oxadiazol5yl)3(methylsulfanyl)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1((1(3(furan2yl)124oxadiazol5yl)3(methylthio)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541688
CSCCC(c1onc(n1)c1ccco1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H27N3O8Sc11222(34)20(14(3)32)2421(23(12)35)28(4)18(3824)1116(33)19(25(28)36)13(2)2915(810405)273026(313927)177693717h6791115293435H810H215H3b1913+t15?28m0s1
ZINC000263586496
ZINC000263586497

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Available files

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