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(2E,9bR)-6-acetyl-2-(1-{[2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL548053
SMILES Clc1ccc(cc1)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)Cc1nc2c([nH]1)cccc2

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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 C33H28ClN3O6 MW 598.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClN3O6/c1-15-29(40)27(17(3)38)31-28(30(15)41)33(4)24(43-31)14-23(39)26(32(33)42)16(2)35-22(18-9-11-19(34)12-10-18)13-25-36-20-7-5-6-8-21(20)37-25/h5-12,14,22,35,40-41H,13H2,1-4H3,(H,36,37)/b26-16+/t22?,33-/m0/s1
InChIKey
NQJDRHFYXFAQSM-XKAFOMBMSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((2(1~(H)benzimidazol2yl)1(4chlorophenyl)ethyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((2(1Hbenzimidazol2yl)1(4chlorophenyl)ethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)2(1((2(1Hbenzo(d)imidazol2yl)1(4chlorophenyl)ethyl)amino)ethylidene)6acetyl79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541209
Clc1ccc(cc1)C(NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)Cc1nc2c((nH)1)cccc2
InChI=1SC33H28ClN3O6c11529(40)27(17(3)38)3128(30(15)41)33(4)24(4331)1423(39)26(32(33)42)16(2)3522(1891119(34)121018)13253620756821(20)3725h5121422354041H13H214H3(H3637)b2616+t22?33m0s1
ZINC000263585894
ZINC000263585895

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Available files

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