Vitas-M small molecule compound

(E)-(3-chloro-4-methoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STL044356
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[NH+](CC)CC)/[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 C25H29ClN2O4 MW 456.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O4/c1-4-27(5-2)14-9-15-28-22(17-10-7-6-8-11-17)21(24(30)25(28)31)23(29)18-12-13-20(32-3)19(26)16-18/h6-8,10-13,16,22,29H,4-5,9,14-15H2,1-3H3/b23-21+
InChIKey
XPPBRJKYLBPYBA-XTQSDGFTSA-N
Synonyms
636987-45-6
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5PHENYL3PYRROLIN2ONE
4(3CHLORO4METHOXYBENZOYL)1(3(DIETHYLAMINO)PROPYL)3HYDROXY5PHENYL15DIHYDRO2HPYRROL2ONE
636987456
CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)O)C(=O)C1=O)C3=CC=CC=C3
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(CC)CC)(O)
InChI=1SC25H29ClN2O4c1427(52)149152822(17107681117)21(24(30)25(28)31)23(29)18121320(323)19(26)1618h681013162229H4591415H213H3b2321+
MFCD18248406
ZINC000009046865
ZINC000009046866

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Available files

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