Vitas-M small molecule compound

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

Catalog ID
STK561384
SMILES CCc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-6-17-7-9-18(10-8-17)22-21(24(29)25(30)27(22)14-13-26(3)4)23(28)20-12-11-19(31-5)15-16(20)2/h7-12,15,22,28H,6,13-14H2,1-5H3/b23-21+
InChIKey
ULQRWZAEBYBTLW-XTQSDGFTSA-N
Synonyms

(4E)1(2(dimethylamino)ethyl)5(4ethylphenyl)4(hydroxy(4methoxy2methylphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4ETHYLPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4ethylphenyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4ETHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN(C)C
CCc1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC25H30N2O4c16177918(10817)2221(24(29)25(30)27(22)141326(3)4)23(28)20121119(315)1516(20)2h712152228H61314H215H3b2321+
MFCD18243778
ZINC000102503577
ZINC000102503585

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.