Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL148553
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](C)C)/[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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-4-13-28-16-9-7-15(8-10-16)20(25)18-19(17-6-5-14-29-17)24(12-11-23(2)3)22(27)21(18)26/h5-10,14,19,25H,4,11-13H2,1-3H3/b20-18+InChIKey
PFIKHSBRKBCWOT-CZIZESTLSA-NSynonyms
615276-68-1(4E)1(2(dimethylamino)ethyl)4(hydroxy(4propoxyphenyl)methylidene)5thiophen2ylpyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)5(2THIENYL)3PYRROLIN2ONE
615276681
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC22H26N2O4Sc141328169715(81016)20(25)1819(1765142917)24(121123(2)3)22(27)21(18)26h510141925H41113H213H3b2018+
MFCD20755419
ZINC000102927930
ZINC000102927932
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