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(2E,9bR)-6-acetyl-2-[1-({1-[3-(2-chlorophenyl)-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
STL548301
SMILES CSCCC(c1onc(n1)c1ccccc1Cl)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 C30H28ClN3O7S MW 610.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O7S/c1-13-24(37)22(15(3)35)26-23(25(13)38)30(4)20(40-26)12-19(36)21(27(30)39)14(2)32-18(10-11-42-5)29-33-28(34-41-29)16-8-6-7-9-17(16)31/h6-9,12,18,32,37-38H,10-11H2,1-5H3/b21-14+/t18?,30-/m0/s1
InChIKey
QASSZKKHWJVCAM-SGYUMMGDSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((1(3(2chlorophenyl)124oxadiazol5yl)3methylsulfanylpropyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((1(3(2chlorophenyl)124oxadiazol5yl)3(methylsulfanyl)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1((1(3(2chlorophenyl)124oxadiazol5yl)3(methylthio)propyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
122170151
CSCCC(c1onc(n1)c1ccccc1Cl)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC30H28ClN3O7Sc11324(37)22(15(3)35)2623(25(13)38)30(4)20(4026)1219(36)21(27(30)39)14(2)3218(1011425)293328(344129)16867917(16)31h691218323738H1011H215H3b2114+t18?30m0s1
ZINC000409415568
ZINC000409415569

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Available files

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