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

Catalog ID
STL548548
SMILES CSCC[C@@H](c1nc2c(n1C)cccc2)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 C30H31N3O6S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6S/c1-14-25(36)23(16(3)34)27-24(26(14)37)30(4)21(39-27)13-20(35)22(28(30)38)15(2)31-18(11-12-40-6)29-32-17-9-7-8-10-19(17)33(29)5/h7-10,13,18,31,36-37H,11-12H2,1-6H3/b22-15+/t18-,30-/m0/s1
InChIKey
RTHSTYIVMPGNJP-PLGDNDETSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(((1~(S))1(1methylbenzimidazol2yl)3methylsulfanylpropyl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1(((1S)1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1(((S)1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
121541923
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC30H31N3O6Sc11425(36)23(16(3)34)2724(26(14)37)30(4)21(3927)1320(35)22(28(30)38)15(2)3118(1112406)2932179781019(17)33(29)5h7101318313637H1112H216H3b2215+t1830m0s1
ZINC000263586256
ZINC263586256

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Available files

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