Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL037763
SMILES CCOc1ccc(cc1OC)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 C28H26N2O7 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7/c1-3-35-20-8-6-18(13-22(20)34-2)25-24(26(31)19-7-9-21-23(14-19)37-12-11-36-21)27(32)28(33)30(25)16-17-5-4-10-29-15-17/h4-10,13-15,25,31H,3,11-12,16H2,1-2H3/b26-24+InChIKey
YRIFNPGSKHRTKZ-SHHOIMCASA-NSynonyms
618413-12-0(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
618413120
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC28H26N2O7c1335208618(1322(20)342)2524(26(31)19792123(1419)3712113621)27(32)28(33)30(25)16175410291517h41013152531H3111216H212H3b2624+
MFCD18247483
ZINC000102860441
ZINC000102860443
Check stock
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