Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054128
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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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 C35H40N2O6 MW 584.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O6/c1-5-36(6-2)17-18-37-32(25-13-16-29(30(21-25)41-7-3)42-22-24-11-9-8-10-12-24)31(34(39)35(37)40)33(38)26-14-15-28-27(20-26)19-23(4)43-28/h8-16,20-21,23,32,38H,5-7,17-19,22H2,1-4H3/b33-31+InChIKey
HRJILUSBJGYUSW-QOSDPKFLSA-NSynonyms
893698-19-6(4E)1(2DIETHYLAMINOETHYL)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
893698196
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC35H40N2O6c1536(62)17183732(25131629(30(2125)4173)4222241198101224)31(34(39)35(37)40)33(38)2614152827(2026)1923(4)4328h8162021233238H57171922H214H3b3331+
MFCD18249578
ZINC000102893615
ZINC000102893623
Check stock
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