Vitas-M small molecule compound

(E)-[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-3-yl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate

Catalog ID
STL148965
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/[O-])/C1c1ccc[nH+]c1

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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-13-11-15(28-3)6-7-16(13)19(24)17-18(14-5-4-8-22-12-14)23(9-10-27-2)21(26)20(17)25/h4-8,11-12,18,24H,9-10H2,1-3H3/b19-17+
InChIKey
GXEIWADTFUMMLA-HTXNQAPBSA-N
Synonyms

(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2METHOXYETHYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(1(2methoxyethyl)45dioxo2(pyridinium3yl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(2METHOXYETHYL)45DIOXO2PYRIDIN1IUM3YLPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
3HYDROXY4((4METHOXY2METHYLPHENYL)CARBONYL)1(2METHOXYETHYL)5(PYRIDIN3YL)25DIHYDRO1HPYRROL2ONE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCOC)C3=C(NH+)=CC=C3)(O)
COCCN1C(=O)C(=O)C(=C(c2ccc(cc2C)OC)(O))C1c1ccc(nH+)c1
InChI=1SC21H22N2O5c1131115(283)6716(13)19(24)1718(14548221214)23(910272)21(26)20(17)25h4811121824H910H213H3b1917+
MFCD20755512
ZINC000102932359
ZINC000102932360

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.