Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK563984
SMILES COc1ccc(cc1Cl)/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 C21H23ClN2O4S MW 434.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O4S/c1-23(2)9-5-10-24-18(16-6-4-11-29-16)17(20(26)21(24)27)19(25)13-7-8-15(28-3)14(22)12-13/h4,6-8,11-12,18,25H,5,9-10H2,1-3H3/b19-17+InChIKey
LCEBJBKPNRWBFO-HTXNQAPBSA-NSynonyms
636992-23-9(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
636992239
C(NH+)(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)(O))C(=O)C1=O)C3=CC=CS3
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(C)C)(O)
InChI=1SC21H23ClN2O4Sc123(2)95102418(1664112916)17(20(26)21(24)27)19(25)137815(283)14(22)1213h46811121825H5910H213H3b1917+
MFCD18244433
ZINC000008980947
ZINC000008980957
Check stock
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