Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL049114
SMILES CC[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)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 C25H32N2O4S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O4S/c1-5-26(6-2)13-14-27-22(20-8-7-15-32-20)21(24(29)25(27)30)23(28)18-9-11-19(12-10-18)31-16-17(3)4/h7-12,15,17,22,28H,5-6,13-14,16H2,1-4H3/b23-21+
InChIKey
DFHSXNBEGWPJQN-XTQSDGFTSA-N
Synonyms
844664-10-4
(4E)1(2(diethylamino)ethyl)4(hydroxy(4(2methylpropoxy)phenyl)methylidene)5thiophen2ylpyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
844664104
CC(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(cc2)OCC(C)C)(O))C(=O)C1=O)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC(C)C)O)C(=O)C1=O)C3=CC=CS3
InChI=1SC25H32N2O4Sc1526(62)13142722(2087153220)21(24(29)25(27)30)23(28)1891119(121018)311617(3)4h71215172228H56131416H214H3b2321+
MFCD18249249
ZINC000009360300
ZINC000009436794

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Available files

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