Vitas-M small molecule compound

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

Catalog ID
STL037908
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)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 C24H29ClN2O5 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29ClN2O5/c1-5-26(6-2)12-7-13-27-21(19-10-8-15(3)32-19)20(23(29)24(27)30)22(28)16-9-11-18(31-4)17(25)14-16/h8-11,14,21,28H,5-7,12-13H2,1-4H3/b22-20+
InChIKey
USCWCVRQWAJFPV-LSDHQDQOSA-N
Synonyms
636987-51-4
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(diethylammonio)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(5METHYL(2FURYL))3PYRROLIN2ONE
636987514
CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)O)C(=O)C1=O)C3=CC=C(O3)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCC(NH+)(CC)CC)(O)
InChI=1SC24H29ClN2O5c1526(62)127132721(1910815(3)3219)20(23(29)24(27)30)22(28)1691118(314)17(25)1416h811142128H571213H214H3b2220+
MFCD18247519
ZINC000009042319
ZINC000009042323

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Available files

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