Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045227
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-17(2)19-7-9-20(10-8-19)25-24(26(31)21-11-12-22(34-3)23(14-21)35-4)27(32)28(33)30(25)16-18-6-5-13-29-15-18/h5-15,17,25,31H,16H2,1-4H3/b26-24+InChIKey
LUNXNJZYRDOUSA-SHHOIMCASA-NSynonyms
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC28H28N2O5c117(2)197920(10819)2524(26(31)21111222(343)23(1421)354)27(32)28(33)30(25)16186513291518h515172531H16H214H3b2624+
MFCD18248596
ZINC000102876810
ZINC000102876813
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