Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL037891
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)Cl)OC)\[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 C26H26ClN3O5 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5/c1-3-35-19-8-5-17(6-9-19)23-22(24(31)18-7-10-21(34-2)20(27)15-18)25(32)26(33)30(23)13-4-12-29-14-11-28-16-29/h5-11,14-16,23,31H,3-4,12-13H2,1-2H3/b24-22+InChIKey
ATWDMNFTPSEBRN-ZNTNEXAZSA-NSynonyms
850744-72-8(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
850744728
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)Cl)OC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H26ClN3O5c1335198517(6919)2322(24(31)1871021(342)20(27)1518)25(32)26(33)30(23)13412291411281629h51114162331H341213H212H3b2422+
MFCD18247514
ZINC000102860453
ZINC000102860456
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