Vitas-M small molecule compound

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

Catalog ID
STL037320
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-25(2)13-8-14-26-21(16-9-6-5-7-10-16)20(23(28)24(26)29)22(27)17-11-12-18(30-3)19(15-17)31-4/h5-7,9-12,15,21,27H,8,13-14H2,1-4H3/b22-20+
InChIKey
ZGEGXBPGQWGPFA-LSDHQDQOSA-N
Synonyms
615276-59-0
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5PHENYL3PYRROLIN2ONE
4(34DIMETHOXYBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5PHENYL15DIHYDRO2HPYRROL2ONE
615276590
C(NH+)(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)(O))C(=O)C1=O)C3=CC=CC=C3
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(C)C)(O)
InChI=1SC24H28N2O5c125(2)138142621(1696571016)20(23(28)24(26)29)22(27)17111218(303)19(1517)314h57912152127H81314H214H3b2220+
MFCD18247400
ZINC000004326540
ZINC000004326541

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Available files

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