Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL044555
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[NH+]1CCOCC1)/[O-]
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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 C30H34N2O6 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6/c1-30(2,3)21-10-8-19(9-11-21)25-24(26(33)23-18-20-6-5-7-22(36-4)28(20)38-23)27(34)29(35)32(25)13-12-31-14-16-37-17-15-31/h5-11,18,25,33H,12-17H2,1-4H3/b26-24+InChIKey
SFSQFRUTIQTCDJ-SHHOIMCASA-NSynonyms
(E)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)1CCOCC1)(O)
MFCD18248439
ZINC000009271594
ZINC000009271595
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