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

Catalog ID
STL549014
SMILES CSCCC(c1onc(n1)C(C)C)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 C27H31N3O7S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O7S/c1-11(2)25-29-26(37-30-25)15(8-9-38-7)28-13(4)18-16(32)10-17-27(6,24(18)35)20-22(34)12(3)21(33)19(14(5)31)23(20)36-17/h10-11,15,28,33-34H,8-9H2,1-7H3/b18-13+/t15?,27-/m0/s1
InChIKey
SNCVSGFALWTXMM-VTCUSMRLSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((3methylsulfanyl1(3propan2yl124oxadiazol5yl)propyl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3(methylsulfanyl)1(3(propan2yl)124oxadiazol5yl)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9BRE)6ACETYL79DIHYDROXY2(1((1(3ISOPROPYL124OXADIAZOL5YL)3(METHYLTHIO)PROPYL)AMINO)ETHYLIDENE)89BDIMETHYLDIBENZO(BD)FURAN13(2H9BH)DIONE
121541745
CSCCC(c1onc(n1)C(C)C)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC27H31N3O7Sc111(2)252926(373025)15(89387)2813(4)1816(32)101727(624(18)35)2022(34)12(3)21(33)19(14(5)31)23(20)3617h101115283334H89H217H3b1813+t15?27m0s1
ZINC000263586312
ZINC000263586313

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Available files

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