Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STK564937
SMILES CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[NH+](C)C)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 C24H27FN2O4 MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN2O4/c1-15(2)31-19-11-7-16(8-12-19)21-20(22(28)17-5-9-18(25)10-6-17)23(29)24(30)27(21)14-13-26(3)4/h5-12,15,21,28H,13-14H2,1-4H3/b22-20+
InChIKey
NSHLGMOXPUMOHT-LSDHQDQOSA-N
Synonyms
848767-99-7
(4E)1(2DIMETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHOXY)PHENYL)3PYRROLIN2ONE
1(2(DIMETHYLAMINO)ETHYL)4(4FLUOROBENZOYL)3HYDROXY5(4ISOPROPOXYPHENYL)15DIHYDRO2HPYRROL2ONE
848767997
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)(O))C(=O)C(=O)N2CC(NH+)(C)C
CC(Oc1ccc(cc1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)(C)C)C
InChI=1SC24H27FN2O4c115(2)311911716(81219)2120(22(28)175918(25)10617)23(29)24(30)27(21)141326(3)4h512152128H1314H214H3b2220+
MFCD18244652
ZINC000009236064
ZINC000009236067

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Available files

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