Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STK560358
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-32-20-10-9-19(17-21(20)33-2)24(29)22-23(18-7-4-3-5-8-18)28(26(31)25(22)30)12-6-11-27-13-15-34-16-14-27/h3-5,7-10,17,23,29H,6,11-16H2,1-2H3/b24-22+
InChIKey
NENOGGLEAOMOAS-ZNTNEXAZSA-N
Synonyms
615276-07-8
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5PHENYL3PYRROLIN2ONE
615276078
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CC=C4)(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H30N2O6c1322010919(1721(20)332)24(29)2223(187435818)28(26(31)25(22)30)1261127131534161427h35710172329H61116H212H3b2422+
MFCD18243510
ZINC000102495326
ZINC000102495334

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Available files

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