Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL046777
SMILES CC[NH+](CCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2C)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 C32H44N2O4 MW 520.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44N2O4/c1-9-33(10-2)17-18-34-28(23-11-13-24(14-12-23)32(6,7)8)27(30(36)31(34)37)29(35)26-16-15-25(19-22(26)5)38-20-21(3)4/h11-16,19,21,28,35H,9-10,17-18,20H2,1-8H3/b29-27+InChIKey
TYQOHJHRBWWCCE-ORIPQNMZSA-NSynonyms
488732-95-2(4E)5(4tertbutylphenyl)1(2(diethylamino)ethyl)4(hydroxy(2methyl4(2methylpropoxy)phenyl)methylidene)pyrrolidine23dione
(4E)5(4TERTBUTYLPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488732952
CC(NH+)(CCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2C)OCC(C)C)(O))C(=O)C1=O)CC
CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC(C)C)C)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC32H44N2O4c1933(102)17183428(23111324(141223)32(67)8)27(30(36)31(34)37)29(35)26161525(1922(26)5)382021(3)4h111619212835H910171820H218H3b2927+
MFCD18248922
ZINC000009233365
ZINC000009274415
Check stock
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Check stock on Vitas-MAvailable files
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