Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK560489
SMILES CC[NH+](CCN1C(c2cccs2)/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 C26H34N2O4S MW 470.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4S/c1-6-27(7-2)12-13-28-23(21-9-8-14-33-21)22(25(30)26(28)31)24(29)19-10-11-20(18(5)15-19)32-16-17(3)4/h8-11,14-15,17,23,29H,6-7,12-13,16H2,1-5H3/b24-22+InChIKey
CBIFXMDVFCYLJG-ZNTNEXAZSA-NSynonyms
488810-69-1(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488810691
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC=CS3
CC(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C1=O)CC
InChI=1SC26H34N2O4Sc1627(72)12132823(2198143321)22(25(30)26(28)31)24(29)19101120(18(5)1519)321617(3)4h8111415172329H67121316H215H3b2422+
MFCD18243552
ZINC000102496467
ZINC000102496475
Check stock
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Check stock on Vitas-MAvailable files
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