Vitas-M small molecule compound

(E)-{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK578246
SMILES C[NH+](CCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(c(c2)F)OC(C)C)\[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 C25H28ClFN2O4 MW 474.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClFN2O4/c1-15(2)33-20-11-8-17(14-19(20)27)23(30)21-22(16-6-9-18(26)10-7-16)29(25(32)24(21)31)13-5-12-28(3)4/h6-11,14-15,22,30H,5,12-13H2,1-4H3/b23-21+
InChIKey
ORGBBNDBZYXYBZ-XTQSDGFTSA-N
Synonyms
902012-36-6
(4E)5(4CHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(2(4CHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4CHLOROPHENYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
902012366
C(NH+)(CCCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)Cl)(O))F
InChI=1SC25H28ClFN2O4c115(2)332011817(1419(20)27)23(30)2122(166918(26)10716)29(25(32)24(21)31)1351228(3)4h61114152230H51213H214H3b2321+
MFCD18245600
ZINC000102583382
ZINC000102583387

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Available files

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