Vitas-M small molecule compound
(E)-{2-(4-butoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045416
SMILES CCCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[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 C31H40N2O5 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O5/c1-5-8-18-37-25-13-10-22(11-14-25)28-27(29(34)23-12-15-26-24(20-23)19-21(4)38-26)30(35)31(36)33(28)17-9-16-32(6-2)7-3/h10-15,20-21,28,34H,5-9,16-19H2,1-4H3/b29-27+InChIKey
JYIFDXNJARNUPN-ORIPQNMZSA-NSynonyms
848279-10-7(4E)5(4BUTOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4butoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4BUTOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
848279107
CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)(CC)CC
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC31H40N2O5c158183725131022(111425)2827(29(34)2312152624(2023)1921(4)3826)30(35)31(36)33(28)1791632(62)73h101520212834H591619H214H3b2927+
MFCD18248634
ZINC000009354468
ZINC000009354471
Check stock
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Check stock on Vitas-MAvailable files
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