Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL148136
SMILES CC[NH+](CCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(c(c2)C)OCC(C)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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-7-30(8-2)15-16-31-26(22-11-9-20(5)10-12-22)25(28(33)29(31)34)27(32)23-13-14-24(21(6)17-23)35-18-19(3)4/h9-14,17,19,26,32H,7-8,15-16,18H2,1-6H3/b27-25+InChIKey
SDSBRKLRGUKKIL-IMVLJIQESA-NSynonyms
489422-52-8(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
489422528
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC=C(C=C3)C
CC(NH+)(CCN1C(c2ccc(cc2)C)C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C1=O)CC
InChI=1SC29H38N2O4c1730(82)15163126(2211920(5)101222)25(28(33)29(31)34)27(32)23131424(21(6)1723)351819(3)4h91417192632H78151618H216H3b2725+
MFCD20755331
ZINC000102926300
ZINC000102926304
Check stock
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Check stock on Vitas-MAvailable files
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