Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL150399
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)OC
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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-17-5-7-18(8-6-17)24(30)22-23(20-15-19(33-2)9-10-21(20)34-3)29(26(32)25(22)31)13-4-12-28-14-11-27-16-28/h5-11,14-16,23,30H,4,12-13H2,1-3H3/b24-22+InChIKey
LPIAMWJQEFXAIX-ZNTNEXAZSA-NSynonyms
(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
5(25DIMETHOXYPHENYL)3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)4(4METHYLBENZOYL)15DIHYDRO2HPYRROL2ONE
5(25DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C=CC(=C4)OC)OC)O
COc1ccc(c(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1)OC
InChI=1SC26H27N3O5c1175718(8617)24(30)2223(201519(332)91021(20)343)29(26(32)25(22)31)13412281411271628h51114162330H41213H213H3b2422+
MFCD20755819
ZINC000102930749
ZINC000102930750
Check stock
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Check stock on Vitas-MAvailable files
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