Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562361
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C24H29ClN2O4S MW 477.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29ClN2O4S/c1-4-26(5-2)12-8-13-27-21(19-9-7-14-32-19)20(23(29)24(27)30)22(28)16-10-11-18(31-6-3)17(25)15-16/h7,9-11,14-15,21,28H,4-6,8,12-13H2,1-3H3/b22-20+InChIKey
PCJOVSYFDUZKBN-LSDHQDQOSA-NSynonyms
797797-67-2(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)(O))C(=O)C1=O)C3=CC=CS3
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(CC)CC)(O)
Registry IDs
MFCD18244029ZINC000102511871
ZINC000102511881
Check stock
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Check stock on Vitas-MAvailable files
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