Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565050
SMILES CCOc1ccc(cc1Cl)/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 C21H23ClN2O4S MW 434.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O4S/c1-4-28-15-8-7-13(12-14(15)22)19(25)17-18(16-6-5-11-29-16)24(10-9-23(2)3)21(27)20(17)26/h5-8,11-12,18,25H,4,9-10H2,1-3H3/b19-17+InChIKey
AFIBTBRLNVRXFK-HTXNQAPBSA-NSynonyms
797769-57-4(4E)4((3chloro4ethoxyphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)5thiophen2ylpyrrolidine23dione
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
797769574
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC21H23ClN2O4Sc1428158713(1214(15)22)19(25)1718(1665112916)24(10923(2)3)21(27)20(17)26h5811121825H4910H213H3b1917+
MFCD18244676
ZINC000102532266
ZINC000102532273
Check stock
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Check stock on Vitas-MAvailable files
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