Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[3-(dimethylammonio)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148703
SMILES C[NH+](CCCN1C(c2ccco2)/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C1=O)C
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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 C20H21ClN2O4 MW 388.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O4/c1-22(2)10-4-11-23-17(15-5-3-12-27-15)16(19(25)20(23)26)18(24)13-6-8-14(21)9-7-13/h3,5-9,12,17,24H,4,10-11H2,1-2H3/b18-16+InChIKey
FIYXPFFTAUULMA-FBMGVBCBSA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(FURAN2YL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(3(dimethylammonio)propyl)2(furan2yl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
C(NH+)(CCCN1C(c2ccco2)C(=C(c2ccc(cc2)Cl)(O))C(=O)C1=O)C
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)Cl)O)C(=O)C1=O)C3=CC=CO3
InChI=1SC20H21ClN2O4c122(2)104112317(1553122715)16(19(25)20(23)26)18(24)136814(21)9713h359121724H41011H212H3b1816+
MFCD20755453
ZINC000005445150
ZINC000005445162
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