Vitas-M small molecule compound
(E)-(4-methoxyphenyl)[2-(naphthalen-1-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL037581
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc2c1cccc2)Cc1ccc[nH+]c1)/[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 C28H22N2O4 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O4/c1-34-21-13-11-20(12-14-21)26(31)24-25(23-10-4-8-19-7-2-3-9-22(19)23)30(28(33)27(24)32)17-18-6-5-15-29-16-18/h2-16,25,31H,17H2,1H3/b26-24+InChIKey
YVUVKIJMGNLGAZ-SHHOIMCASA-NSynonyms
369399-74-6(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5NAPHTHALEN1YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(2(naphthalen1yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(2NAPHTHALEN1YL45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
369399746
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC5=CC=CC=C54)O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc2c1cccc2)Cc1ccc(nH+)c1)(O)
InChI=1SC28H22N2O4c13421131120(121421)26(31)2425(23104819723922(19)23)30(28(33)27(24)32)17186515291618h2162531H17H21H3b2624+
MFCD18247451
ZINC000102857904
ZINC000102857906
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