Vitas-M small molecule compound

(E)-{2-(4-ethylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate

Catalog ID
STL037779
SMILES CCc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-3-18-4-6-19(7-5-18)23-22(24(29)20-8-10-21(32-2)11-9-20)25(30)26(31)28(23)13-12-27-14-16-33-17-15-27/h4-11,23,29H,3,12-17H2,1-2H3/b24-22+
InChIKey
XUMHXVKXVZAZKB-ZNTNEXAZSA-N
Synonyms
488792-86-5
(4E)5(4ETHYLPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4ethylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(2(4ETHYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
488792865
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CCN4CCOCC4
CCc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OC)(O)
InChI=1SC26H30N2O5c13184619(7518)2322(24(29)2081021(322)11920)25(30)26(31)28(23)131227141633171527h4112329H31217H212H3b2422+
MFCD18247488
ZINC000102859882
ZINC000102859885

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Available files

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