Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK570338
SMILES CCOc1cccc(c1)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 C27H24N2O6 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6/c1-2-33-20-7-3-6-18(13-20)24-23(25(30)19-8-9-21-22(14-19)35-12-11-34-21)26(31)27(32)29(24)16-17-5-4-10-28-15-17/h3-10,13-15,24,30H,2,11-12,16H2,1H3/b25-23+InChIKey
MQWHTFUFDPNXFR-WJTDDFOZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(3ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H24N2O6c12332073618(1320)2423(25(30)19892122(1419)3512113421)26(31)27(32)29(24)16175410281517h31013152430H2111216H21H3b2523+
MFCD18245350
ZINC000102561776
ZINC000102561786
Check stock
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