Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[3-(1,1-dioxido-1,2-thiazolidin-2-yl)-4-methoxyphenyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL550204
SMILES COc1ccc(cc1N1CCCS1(=O)=O)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 C28H28N2O9S MW 568.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O9S/c1-13-24(33)22(15(3)31)26-23(25(13)34)28(4)20(39-26)12-18(32)21(27(28)35)14(2)29-16-7-8-19(38-5)17(11-16)30-9-6-10-40(30,36)37/h7-8,11-12,29,33-34H,6,9-10H2,1-5H3/b21-14+/t28-/m0/s1InChIKey
KAKVYTGBBPYGBP-BSKIJULFSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(3(11dioxo12thiazolidin2yl)4methoxyanilino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((3(11dioxido12thiazolidin2yl)4methoxyphenyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((3(11dioxidoisothiazolidin2yl)4methoxyphenyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
132352520
COc1ccc(cc1N1CCCS1(=O)=O)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H28N2O9Sc11324(33)22(15(3)31)2623(25(13)34)28(4)20(3926)1218(32)21(27(28)35)14(2)29167819(385)17(1116)30961040(3036)37h781112293334H6910H215H3b2114+t28m0s1
ZINC000824726351
Check stock
See real-time availability and sample size for STL550204 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.