Vitas-M small molecule compound

(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STL037603
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[NH+](CC)CC)/[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 C26H31ClN2O4 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O4/c1-4-28(5-2)15-10-16-29-23(18-11-8-7-9-12-18)22(25(31)26(29)32)24(30)19-13-14-21(33-6-3)20(27)17-19/h7-9,11-14,17,23,30H,4-6,10,15-16H2,1-3H3/b24-22+
InChIKey
MUFLEIHSPVZCAT-ZNTNEXAZSA-N
Synonyms
615278-78-9
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5PHENYL3PYRROLIN2ONE
615278789
CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)O)C(=O)C1=O)C3=CC=CC=C3
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(CC)CC)(O)
InChI=1SC26H31ClN2O4c1428(52)1510162923(18118791218)22(25(31)26(29)32)24(30)19131421(3363)20(27)1719h791114172330H46101516H213H3b2422+
MFCD18247457
ZINC000009177273
ZINC000009177275

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Available files

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