Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK560516
SMILES Clc1ccc(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 C19H19ClN2O3S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O3S/c1-21(2)9-10-22-16(14-4-3-11-26-14)15(18(24)19(22)25)17(23)12-5-7-13(20)8-6-12/h3-8,11,16,23H,9-10H2,1-2H3/b17-15+InChIKey
CTBVLUUKYPPXKB-BMRADRMJSA-NSynonyms
381693-46-5(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
381693465
C(NH+)(C)CCN1C(C(=C(C2=CC=C(C=C2)Cl)(O))C(=O)C1=O)C3=CC=CS3
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC19H19ClN2O3Sc121(2)9102216(1443112614)15(18(24)19(22)25)17(23)125713(20)8612h38111623H910H212H3b1715+
MFCD18243556
ZINC000005576852
ZINC000005576901
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