Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL037927
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccc(cc1)C(C)C
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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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-18(2)19-4-6-20(7-5-19)25-24(26(32)21-8-9-22-23(16-21)36-15-14-35-22)27(33)28(34)31(25)12-3-11-30-13-10-29-17-30/h4-10,13,16-18,25,32H,3,11-12,14-15H2,1-2H3/b26-24+InChIKey
ZEUZOVATSPSBNL-SHHOIMCASA-NSynonyms
618410-13-2(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
618410132
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C(N1CCCn1c(nH+)cc1)c1ccc(cc1)C(C)C
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