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(2E,9bR)-6-acetyl-2-[1-({1-[3-(3,4-dimethoxyphenyl)-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
STL547348
SMILES CSCCC(c1onc(n1)c1ccc(c(c1)OC)OC)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 C32H33N3O9S MW 635.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O9S/c1-14-26(38)24(16(3)36)28-25(27(14)39)32(4)22(43-28)13-19(37)23(29(32)40)15(2)33-18(10-11-45-7)31-34-30(35-44-31)17-8-9-20(41-5)21(12-17)42-6/h8-9,12-13,18,33,38-39H,10-11H2,1-7H3/b23-15+/t18?,32-/m0/s1
InChIKey
KLGMOXAEFHAPFS-VSEQHEAZSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((1(3(34dimethoxyphenyl)124oxadiazol5yl)3methylsulfanylpropyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((1(3(34dimethoxyphenyl)124oxadiazol5yl)3(methylsulfanyl)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1((1(3(34dimethoxyphenyl)124oxadiazol5yl)3(methylthio)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541092
CSCCC(c1onc(n1)c1ccc(c(c1)OC)OC)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC32H33N3O9Sc11426(38)24(16(3)36)2825(27(14)39)32(4)22(4328)1319(37)23(29(32)40)15(2)3318(1011457)313430(354431)178920(415)21(1217)426h89121318333839H1011H217H3b2315+t18?32m0s1
ZINC000263585599
ZINC000263585600

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Available files

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