Vitas-M small molecule compound
(E)-(4-chlorophenyl)[2-(3-methoxy-4-propoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565937
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C27H25ClN2O5 MW 492.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O5/c1-3-13-35-21-11-8-19(14-22(21)34-2)24-23(25(31)18-6-9-20(28)10-7-18)26(32)27(33)30(24)16-17-5-4-12-29-15-17/h4-12,14-15,24,31H,3,13,16H2,1-2H3/b25-23+InChIKey
KZMWEZJKEPBDPO-WJTDDFOZSA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(3METHOXY4PROPOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE(E)(4CHLOROPHENYL)(2(3METHOXY4PROPOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4chlorophenyl)(2(3methoxy4propoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(3METHOXY4PROPOXYPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
Registry IDs
MFCD18244900ZINC000102538320
ZINC000102538330
Check stock
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Check stock on Vitas-MAvailable files
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