Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565160
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+](CC)CC)/[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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-6-9-18-35-24-15-14-23(19-21(24)5)27(32)25-26(22-12-10-20(4)11-13-22)31(29(34)28(25)33)17-16-30(7-2)8-3/h10-15,19,26,32H,6-9,16-18H2,1-5H3/b27-25+InChIKey
CNULYUZUPPINFU-IMVLJIQESA-NSynonyms
497865-47-1(4E)4((4butoxy3methylphenyl)hydroxymethylidene)1(2(diethylamino)ethyl)5(4methylphenyl)pyrrolidine23dione
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
497865471
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(CC)CC)C3=CC=C(C=C3)C)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)(CC)CC)(O)
InChI=1SC29H38N2O4c169183524151423(1921(24)5)27(32)2526(22121020(4)111322)31(29(34)28(25)33)171630(72)83h1015192632H691618H215H3b2725+
MFCD18244704
ZINC000102533025
ZINC000102533031
Check stock
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Check stock on Vitas-MAvailable files
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