Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK562951
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCCn1c[nH+]cc1)/[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 C26H25Cl2N3O4 MW 514.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2N3O4/c1-2-14-35-19-7-4-17(5-8-19)24(32)22-23(18-6-9-20(27)21(28)15-18)31(26(34)25(22)33)12-3-11-30-13-10-29-16-30/h4-10,13,15-16,23,32H,2-3,11-12,14H2,1H3/b24-22+InChIKey
MFMSVKGZPLEPIO-ZNTNEXAZSA-NSynonyms
615277-07-1(4E)5(34DICHLOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(34DICHLOROPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277071
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C=C4)Cl)Cl)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCCn1c(nH+)cc1)(O)
InChI=1SC26H25Cl2N3O4c121435197417(5819)24(32)2223(186920(27)21(28)1518)31(26(34)25(22)33)12311301310291630h4101315162332H23111214H21H3b2422+
MFCD18244165
ZINC000102516612
ZINC000102516623
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