Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STK564045
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C26H28N2O6 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6/c1-17-3-5-19(6-4-17)23(29)21-22(18-7-9-20(10-8-18)26(32)33-2)28(25(31)24(21)30)12-11-27-13-15-34-16-14-27/h3-10,22,29H,11-16H2,1-2H3/b23-21+InChIKey
HEUGKOOLKFVNBQ-XTQSDGFTSA-NSynonyms
499118-62-6(E)(2(4(methoxycarbonyl)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
499118626
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC26H28N2O6c1173519(6417)23(29)2122(187920(10818)26(32)332)28(25(31)24(21)30)121127131534161427h3102229H1116H212H3b2321+
METHYL4((3E)3(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18244446
ZINC000102525397
ZINC000102525403
Check stock
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Check stock on Vitas-MAvailable files
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