Vitas-M small molecule compound
(E)-(4-methoxyphenyl){2-(2-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK559825
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CC[NH+]1CCOCC1)/[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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-31-18-9-7-17(8-10-18)23(28)21-22(19-5-3-4-6-20(19)32-2)27(25(30)24(21)29)12-11-26-13-15-33-16-14-26/h3-10,22,28H,11-16H2,1-2H3/b23-21+InChIKey
WQKUPPYMONIKPM-XTQSDGFTSA-NSynonyms
500276-44-8(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(2(2methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(2(2METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
500276448
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=C4OC)O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)CC(NH+)1CCOCC1)(O)
InChI=1SC25H28N2O6c131189717(81018)23(28)2122(19534620(19)322)27(25(30)24(21)29)121126131533161426h3102228H1116H212H3b2321+
MFCD18243380
ZINC000102490758
ZINC000102490766
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