Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK590953
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-7-37-26-18-21(8-11-25(26)38-15-12-19(2)3)28-27(30(35)31(36)33(28)14-13-32(5)6)29(34)22-9-10-24-23(17-22)16-20(4)39-24/h8-11,17-20,28,34H,7,12-16H2,1-6H3/b29-27+InChIKey
AWARZVGHNKDYIE-ORIPQNMZSA-NSynonyms
897835-94-8(4E)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3ethoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(dimethylazaniumyl)ethyl)2(3ethoxy4(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
897835948
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)(C)C)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC31H40N2O6c1737261821(81125(26)38151219(2)3)2827(30(35)31(36)33(28)141332(5)6)29(34)229102423(1722)1620(4)3924h81117202834H71216H216H3b2927+
MFCD07206874
ZINC000102607884
ZINC000102674938
Check stock
See real-time availability and sample size for STK590953 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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