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

Catalog ID
STL546897
SMILES CSCCC(c1onc(n1)c1ccc(cc1)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 C31H31N3O8S MW 605.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O8S/c1-14-25(37)23(16(3)35)27-24(26(14)38)31(4)21(41-27)13-20(36)22(28(31)39)15(2)32-19(11-12-43-6)30-33-29(34-42-30)17-7-9-18(40-5)10-8-17/h7-10,13,19,32,37-38H,11-12H2,1-6H3/b22-15+/t19?,31-/m0/s1
InChIKey
KIDRFIHRDBPFSW-LFXRVIDNSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((1(3(4methoxyphenyl)124oxadiazol5yl)3methylsulfanylpropyl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((1(3(4methoxyphenyl)124oxadiazol5yl)3(methylsulfanyl)propyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((1(3(4methoxyphenyl)124oxadiazol5yl)3(methylthio)propyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121542052
CSCCC(c1onc(n1)c1ccc(cc1)OC)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC31H31N3O8Sc11425(37)23(16(3)35)2724(26(14)38)31(4)21(4127)1320(36)22(28(31)39)15(2)3219(1112436)303329(344230)177918(405)10817h7101319323738H1112H216H3b2215+t19?31m0s1
ZINC000263585586
ZINC000263585587

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Available files

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