Vitas-M small molecule compound

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

Catalog ID
STL148223
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCCn1cc[nH+]c1)/[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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-33-18-8-4-7-17(15-18)23(30)21-22(19-9-5-10-20(34-2)25(19)35-3)29(26(32)24(21)31)13-6-12-28-14-11-27-16-28/h4-5,7-11,14-16,22,30H,6,12-13H2,1-3H3/b23-21+
InChIKey
WZCLNYXQBMDFEF-XTQSDGFTSA-N
Synonyms
613220-26-1
(4E)5(23DIMETHOXYPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
5(23DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
613220261
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C(=CC=C4)OC)OC)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC26H27N3O6c1331884717(1518)23(30)2122(19951020(342)25(19)353)29(26(32)24(21)31)13612281411271628h4571114162230H61213H213H3b2321+
MFCD20755351
ZINC000102926214
ZINC000102926216

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Available files

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