Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STK560246
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+](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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-4-16-31-20-13-8-12-19(17-20)22-21(23(28)18-10-6-5-7-11-18)24(29)25(30)27(22)15-9-14-26(2)3/h5-8,10-13,17,22,28H,4,9,14-16H2,1-3H3/b23-21+
InChIKey
HEWYTMAZMBQJFQ-XTQSDGFTSA-N
Synonyms
613220-42-1
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PHENYL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4(PHENYLCARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
4BENZOYL1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(3PROPOXYPHENYL)15DIHYDRO2HPYRROL2ONE
613220421
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCCOc1cccc(c1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H30N2O4c141631201381219(1720)2221(23(28)18106571118)24(29)25(30)27(22)1591426(2)3h581013172228H491416H213H3b2321+
MFCD18243483
ZINC000006783486
ZINC000006783493

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Available files

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