Vitas-M small molecule compound
(E)-[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK567560
SMILES COc1ccc(cc1C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[O-])OC
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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 C28H28N2O6 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6/c1-17(2)36-20-9-7-19(8-10-20)26(31)24-25(22-14-21(34-3)11-12-23(22)35-4)30(28(33)27(24)32)16-18-6-5-13-29-15-18/h5-15,17,25,31H,16H2,1-4H3/b26-24+InChIKey
OQUXRWFKHIQTGW-SHHOIMCASA-NSynonyms
(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(25DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(25dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=C(C=CC(=C4)OC)OC)(O)
COc1ccc(cc1C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O))OC
InChI=1SC28H28N2O6c117(2)36209719(81020)26(31)2425(221421(343)111223(22)354)30(28(33)27(24)32)16186513291518h515172531H16H214H3b2624+
MFCD18245160
ZINC000102548140
ZINC000102548147
Check stock
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Check stock on Vitas-MAvailable files
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