Vitas-M small molecule compound

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

Catalog ID
STL149107
SMILES Cc1ccc(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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-13-6-8-14(9-7-13)18(23)16-17(15-5-4-12-26-15)22(11-10-21(2)3)20(25)19(16)24/h4-9,12,17,23H,10-11H2,1-3H3/b18-16+
InChIKey
MARNWLXIZADNBK-FBMGVBCBSA-N
Synonyms
380873-14-3
(4E)1(2(dimethylamino)ethyl)4(hydroxy(4methylphenyl)methylidene)5thiophen2ylpyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
380873143
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O
Cc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC20H22N2O3Sc1136814(9713)18(23)1617(1554122615)22(111021(2)3)20(25)19(16)24h49121723H1011H213H3b1816+
MFCD20755532
ZINC000102928545
ZINC000102928547

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Available files

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