Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK564685
SMILES CCc1ccc(cc1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[O-]
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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 C29H36N2O4 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O4/c1-5-20-9-11-21(12-10-20)26-25(27(32)22-13-14-24-23(18-22)17-19(4)35-24)28(33)29(34)31(26)16-8-15-30(6-2)7-3/h9-14,18-19,26,32H,5-8,15-17H2,1-4H3/b27-25+InChIKey
FLQMPLTZZOWLRH-IMVLJIQESA-NSynonyms
573942-40-2(4E)1(3(DIETHYLAMINO)PROPYL)5(4ETHYLPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4ethylphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
573942402
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(CC)CC
CCc1ccc(cc1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC29H36N2O4c152091121(121020)2625(27(32)2213142423(1822)1719(4)3524)28(33)29(34)31(26)1681530(62)73h91418192632H581517H214H3b2725+
MFCD18244591
ZINC000102529453
ZINC000102648412
Check stock
See real-time availability and sample size for STK564685 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.