Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL046255
SMILES Cc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-16-4-6-18(7-5-16)23-22(24(29)19-8-9-20-21(13-19)33-12-11-32-20)25(30)26(31)28(23)15-17-3-2-10-27-14-17/h2-10,13-14,23,29H,11-12,15H2,1H3/b24-22+InChIKey
LHJLHPQVHPFBBG-ZNTNEXAZSA-NSynonyms
618412-28-5(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(4METHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(4methylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)3HYDROXY5(4METHYLPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
618412285
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5
Cc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC26H22N2O5c1164618(7516)2322(24(29)19892021(1319)3312113220)25(30)26(31)28(23)15173210271417h21013142329H111215H21H3b2422+
MFCD18248809
ZINC000102879207
ZINC000102879209
Check stock
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