Vitas-M small molecule compound
(E)-(7-methoxy-1-benzofuran-2-yl){2-(3-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK561309
SMILES COc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-33-19-7-3-5-17(15-19)23-22(24(30)21-16-18-6-4-8-20(34-2)26(18)36-21)25(31)27(32)29(23)10-9-28-11-13-35-14-12-28/h3-8,15-16,23,30H,9-14H2,1-2H3/b24-22+InChIKey
BXXGCUSPRHDEEB-ZNTNEXAZSA-NSynonyms
(E)(7methoxy1benzofuran2yl)(2(3methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
COc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)c(OC)ccc2)(O)
MFCD18243760
ZINC000009069692
ZINC000009069697
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