Vitas-M small molecule compound

(E)-1-benzofuran-2-yl{2-(2-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK563224
SMILES COc1ccccc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-33-21-10-5-3-8-19(21)24-23(25(30)22-17-18-7-2-4-9-20(18)35-22)26(31)27(32)29(24)12-6-11-28-13-15-34-16-14-28/h2-5,7-10,17,24,30H,6,11-16H2,1H3/b25-23+
InChIKey
NPXPOZZPCMPXEN-WJTDDFOZSA-N
Synonyms

(E)1benzofuran2yl(2(2methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1ccccc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18244244
ZINC000009177736
ZINC000009177743

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Available files

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