Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL044815
SMILES CCOc1cc(ccc1OCC)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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-6-32(7-2)15-10-16-33-28(21-11-14-25(37-8-3)26(19-21)38-9-4)27(30(35)31(33)36)29(34)22-12-13-24-23(18-22)17-20(5)39-24/h11-14,18-20,28,34H,6-10,15-17H2,1-5H3/b29-27+InChIKey
OYXBLHMWHMMCQC-ORIPQNMZSA-NSynonyms
578746-18-6(4E)5(34DIETHOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578746186
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC(=C(C=C4)OCC)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC31H40N2O6c1632(72)1510163328(21111425(3783)26(1921)3894)27(30(35)31(33)36)29(34)2212132423(1822)1720(5)3924h111418202834H6101517H215H3b2927+
MFCD18248494
ZINC000102880458
ZINC000102880465
Check stock
See real-time availability and sample size for STL044815 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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