Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate

Catalog ID
STK560448
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/[O-])/C1c1ccc(cc1)OC)CC

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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/c1-5-26(6-2)15-16-27-22(17-7-11-19(31-3)12-8-17)21(24(29)25(27)30)23(28)18-9-13-20(32-4)14-10-18/h7-14,22,28H,5-6,15-16H2,1-4H3/b23-21+
InChIKey
KOBNNPMEKRHQJJ-XTQSDGFTSA-N
Synonyms
371923-68-1
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
371923681
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC)(O))C(=O)C1=O)C3=CC=C(C=C3)OC
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)OC)(O))C1c1ccc(cc1)OC)CC
InChI=1SC25H30N2O5c1526(62)15162722(1771119(313)12817)21(24(29)25(27)30)23(28)1891320(324)141018h7142228H561516H214H3b2321+
MFCD18243539
ZINC000009270774
ZINC000009270777

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Available files

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