Vitas-M small molecule compound
(E)-{2-(2,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STK565478
SMILES COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[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 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(20-10-9-19(33-2)15-21(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
MOHRPBQYKXBRSS-ZNTNEXAZSA-NSynonyms
(4E)5(24DIMETHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(24dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C=C(C=C4)OC)OC)O
COc1ccc(c(c1)OC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H27N3O5c1175718(8617)24(30)2223(2010919(332)1521(20)343)29(26(32)25(22)31)13412281411271628h51114162330H41213H213H3b2422+
MFCD18244800
ZINC000102535216
ZINC000102535221
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