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

Catalog ID
STL547343
SMILES CSCCC(c1onc(n1)c1cccs1)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 C28H27N3O7S2 MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O7S2/c1-12-22(34)20(14(3)32)24-21(23(12)35)28(4)18(37-24)11-16(33)19(25(28)36)13(2)29-15(8-10-39-5)27-30-26(31-38-27)17-7-6-9-40-17/h6-7,9,11,15,29,34-35H,8,10H2,1-5H3/b19-13+/t15?,28-/m0/s1
InChIKey
QLTXIUZFHNEREI-KQQAKBANSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((3methylsulfanyl1(3thiophen2yl124oxadiazol5yl)propyl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3(methylsulfanyl)1(3(thiophen2yl)124oxadiazol5yl)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy89bdimethyl2(1((3(methylthio)1(3(thiophen2yl)124oxadiazol5yl)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
121541080
CSCCC(c1onc(n1)c1cccs1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H27N3O7S2c11222(34)20(14(3)32)2421(23(12)35)28(4)18(3724)1116(33)19(25(28)36)13(2)2915(810395)273026(313827)177694017h6791115293435H810H215H3b1913+t15?28m0s1
ZINC000263586123
ZINC000263586124

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Available files

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