Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150391
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[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 C27H27N3O6 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6/c1-2-34-20-7-4-18(5-8-20)24-23(25(31)19-6-9-21-22(16-19)36-15-14-35-21)26(32)27(33)30(24)12-3-11-29-13-10-28-17-29/h4-10,13,16-17,24,31H,2-3,11-12,14-15H2,1H3/b25-23+InChIKey
HCTVBAPCIQYDFG-WJTDDFOZSA-NSynonyms
618410-98-3(E)23dihydro14benzodioxin6yl(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
618410983
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
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