Vitas-M small molecule compound
(E)-[2-(4-ethylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL148256
SMILES CCc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-4-18-7-9-20(10-8-18)24-23(25(30)22-12-11-21(33-3)14-17(22)2)26(31)27(32)29(24)16-19-6-5-13-28-15-19/h5-15,24,30H,4,16H2,1-3H3/b25-23+InChIKey
UUXFFVGFXUDSBZ-WJTDDFOZSA-NSynonyms
488802-46-6(4E)5(4ETHYLPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(2(4ethylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
488802466
5(4ETHYLPHENYL)3HYDROXY4(4METHOXY2METHYLBENZOYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC27H26N2O4c14187920(10818)2423(25(30)22121121(333)1417(22)2)26(31)27(32)29(24)16196513281519h5152430H416H213H3b2523+
MFCD20755360
ZINC000102926330
ZINC000102926332
Check stock
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Check stock on Vitas-MAvailable files
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