Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK565868
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-16-7-9-17(10-8-16)22-21(24(29)25(30)27(22)14-6-13-26(2)3)23(28)18-11-12-19(31-4)20(15-18)32-5/h7-12,15,22,28H,6,13-14H2,1-5H3/b23-21+
InChIKey
YXWSFNSXJULJRD-XTQSDGFTSA-N
Synonyms
615276-54-5
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(dimethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHYLPHENYL)3PYRROLIN2ONE
4(34DIMETHOXYBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHYLPHENYL)15DIHYDRO2HPYRROL2ONE
615276545
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CCC(NH+)(C)C
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(C)C)(O)
InChI=1SC25H30N2O5c1167917(10816)2221(24(29)25(30)27(22)1461326(2)3)23(28)18111219(314)20(1518)325h712152228H61314H215H3b2321+
MFCD18244885
ZINC000009070662
ZINC000009241178

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Available files

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