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(2E,9bR)-6-acetyl-2-(1-{[1-(3-benzyl-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
STL548180
SMILES CSCCC(c1onc(n1)Cc1ccccc1)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 C31H31N3O7S MW 589.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O7S/c1-15-26(37)24(17(3)35)28-25(27(15)38)31(4)21(40-28)14-20(36)23(29(31)39)16(2)32-19(11-12-42-5)30-33-22(34-41-30)13-18-9-7-6-8-10-18/h6-10,14,19,32,37-38H,11-13H2,1-5H3/b23-16+/t19?,31-/m0/s1
InChIKey
LGRHVDBBAYPRLU-XDJXARCDSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((1(3benzyl124oxadiazol5yl)3methylsulfanylpropyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((1(3benzyl124oxadiazol5yl)3(methylsulfanyl)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1((1(3benzyl124oxadiazol5yl)3(methylthio)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541605
CSCCC(c1onc(n1)Cc1ccccc1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC31H31N3O7Sc11526(37)24(17(3)35)2825(27(15)38)31(4)21(4028)1420(36)23(29(31)39)16(2)3219(1112425)303322(344130)131897681018h6101419323738H1113H215H3b2316+t19?31m0s1
ZINC000263585672
ZINC000263585673

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Available files

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