Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate

Catalog ID
STL039322
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[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/c1-14-13-15(28-4)8-9-16(14)20(25)18-19(17-7-5-12-29-17)24(22(27)21(18)26)11-6-10-23(2)3/h5,7-9,12-13,19,25H,6,10-11H2,1-4H3/b20-18+
InChIKey
AFMLICFDXIANKB-CZIZESTLSA-N
Synonyms
371115-67-2
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
371115672
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CS3)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(C)C)(O)
InChI=1SC22H26N2O4Sc1141315(284)8916(14)20(25)1819(1775122917)24(22(27)21(18)26)1161023(2)3h57912131925H61011H214H3b2018+
MFCD18247807
ZINC000102863322
ZINC000102863324

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Available files

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