Vitas-M small molecule compound

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

Catalog ID
STL045928
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-19-17-21(13-14-24(19)35-4)27(32)25-26(31(16-15-30(2)3)29(34)28(25)33)20-9-8-12-23(18-20)36-22-10-6-5-7-11-22/h5-14,17-18,26,32H,15-16H2,1-4H3/b27-25+
InChIKey
DIHYVADPYMNWRM-IMVLJIQESA-N
Synonyms
433326-31-9
(4E)1(2(dimethylamino)ethyl)4(hydroxy(4methoxy3methylphenyl)methylidene)5(3phenoxyphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
433326319
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CC(NH+)(C)C)(O)
InChI=1SC29H30N2O5c1191721(131424(19)354)27(32)2526(31(161530(2)3)29(34)28(25)33)20981223(1820)3622106571122h51417182632H1516H214H3b2725+
MFCD18248745
ZINC000102879075
ZINC000102879077

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Available files

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