Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK559950
SMILES CC[NH+](CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)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 C28H34N2O4 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O4/c1-5-29(6-2)14-7-15-30-25(20-10-8-18(3)9-11-20)24(27(32)28(30)33)26(31)21-12-13-23-22(17-21)16-19(4)34-23/h8-13,17,19,25,31H,5-7,14-16H2,1-4H3/b26-24+InChIKey
RAFRZFZIBWSZKH-SHHOIMCASA-NSynonyms
843618-18-8(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
843618188
CC(NH+)(CCCN1C(c2ccc(cc2)C)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=C(C=C4)C
InChI=1SC28H34N2O4c1529(62)147153025(2010818(3)91120)24(27(32)28(30)33)26(31)2112132322(1721)1619(4)3423h81317192531H571416H214H3b2624+
MFCD18243410
ZINC000102491697
ZINC000102641695
Check stock
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Check stock on Vitas-MAvailable files
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