Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK563084
SMILES O=C1C(=O)/C(=C(\c2cc3c(o2)cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)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 C29H32N2O5 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5/c1-19(2)20-8-10-21(11-9-20)26-25(27(32)24-18-22-6-3-4-7-23(22)36-24)28(33)29(34)31(26)13-5-12-30-14-16-35-17-15-30/h3-4,6-11,18-19,26,32H,5,12-17H2,1-2H3/b27-25+InChIKey
XKTGRSWUFXAVNW-IMVLJIQESA-NSynonyms
(E)1benzofuran2yl(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
MFCD18244209
O=C1C(=O)C(=C(c2cc3c(o2)cccc3)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)C
ZINC000009270784
ZINC000009270786
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