Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate

Catalog ID
STL147602
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CC[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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-15-14-17(10-11-18(15)29-4)21(26)19-20(16-8-6-5-7-9-16)25(13-12-24(2)3)23(28)22(19)27/h5-11,14,20,26H,12-13H2,1-4H3/b21-19+
InChIKey
IHMGBYHNXDCTFZ-XUTLUUPISA-N
Synonyms
460045-81-2
(4E)1(2(dimethylamino)ethyl)4(hydroxy(4methoxy3methylphenyl)methylidene)5phenylpyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5PHENYLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2phenylpyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460045812
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CC(NH+)(C)C)(O)
InChI=1SC23H26N2O4c1151417(101118(15)294)21(26)1920(168657916)25(131224(2)3)23(28)22(19)27h511142026H1213H214H3b2119+
MFCD20755230
ZINC000102925350
ZINC000102925353

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Available files

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