Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL148427
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[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 C33H28N2O6 MW 548.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O6/c1-21-6-3-4-8-26(21)20-41-27-15-13-24(14-16-27)30(36)28-29(23-9-11-25(12-10-23)33(39)40-2)35(32(38)31(28)37)19-22-7-5-17-34-18-22/h3-18,29,36H,19-20H2,1-2H3/b30-28+InChIKey
VSIZTZYZJJHZEO-SJCQXOIGSA-NSynonyms
578723-38-3(E)(2(4(methoxycarbonyl)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
578723383
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC=C(C=C5)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
InChI=1SC33H28N2O6c121634826(21)204127151324(141627)30(36)2829(2391125(121023)33(39)402)35(32(38)31(28)37)19227517341822h3182936H1920H212H3b3028+
METHYL4((3E)3(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN2YL)BENZOATE
MFCD20755393
ZINC000102928001
ZINC000102928003
Check stock
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Check stock on Vitas-MAvailable files
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