Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STK563602
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc[nH+]c1)/[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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-33-20-7-3-6-19(13-20)23(29)21-22(17-8-10-18(11-9-17)26(32)34-2)28(25(31)24(21)30)15-16-5-4-12-27-14-16/h3-14,22,29H,15H2,1-2H3/b23-21+InChIKey
HMVAAMOTQOVJNW-XTQSDGFTSA-NSynonyms
609312-92-7(E)(2(4(methoxycarbonyl)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
609312927
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)C(=O)OC)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC26H22N2O6c1332073619(1320)23(29)2122(1781018(11917)26(32)342)28(25(31)24(21)30)15165412271416h3142229H15H212H3b2321+
METHYL4((3E)3(HYDROXY(3METHOXYPHENYL)METHYLIDENE)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN2YL)BENZOATE
METHYL4(4HYDROXY3((3METHOXYPHENYL)CARBONYL)5OXO1(3PYRIDYLMETHYL)3PYRROLIN2YL)BENZOATE
MFCD18244338
ZINC000102521831
ZINC000102521839
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