Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK563468
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)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 C24H27FN2O4 MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN2O4/c1-4-15-31-17-11-9-16(10-12-17)22(28)20-21(18-7-5-6-8-19(18)25)27(14-13-26(2)3)24(30)23(20)29/h5-12,21,28H,4,13-15H2,1-3H3/b22-20+
InChIKey
OLLYEWXPXUHWMU-LSDHQDQOSA-N
Synonyms
615276-75-0
(4E)1(2(dimethylamino)ethyl)5(2fluorophenyl)4(hydroxy(4propoxyphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(2FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(2FLUOROPHENYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276750
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3F)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)(C)C)(O)
InChI=1SC24H27FN2O4c1415311711916(101217)22(28)2021(18756819(18)25)27(141326(2)3)24(30)23(20)29h5122128H41315H213H3b2220+
MFCD18244303
ZINC000102520726
ZINC000102520732

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.