Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL039031
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C29H34N2O7 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O7/c1-2-13-36-22-6-3-5-20(18-22)26-25(27(32)21-7-8-23-24(19-21)38-17-16-37-23)28(33)29(34)31(26)10-4-9-30-11-14-35-15-12-30/h3,5-8,18-19,26,32H,2,4,9-17H2,1H3/b27-25+InChIKey
QBDXIVUUHTXYBQ-IMVLJIQESA-NSynonyms
618409-24-8(E)23dihydro14benzodioxin6yl(1(3(morpholin4ium4yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
618409248
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
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