Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149575
SMILES O=C1C(=O)/C(=C(\c2cc3c(o2)cccc3)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)C(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/c1-29(2,3)21-10-8-19(9-11-21)25-24(26(32)23-18-20-6-4-5-7-22(20)36-23)27(33)28(34)31(25)13-12-30-14-16-35-17-15-30/h4-11,18,25,32H,12-17H2,1-3H3/b26-24+InChIKey
CUWNSJSFRIMVKF-SHHOIMCASA-NSynonyms
(E)1benzofuran2yl(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
MFCD20755632
O=C1C(=O)C(=C(c2cc3c(o2)cccc3)(O))C(N1CC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000009302103
ZINC000009302104
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