Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL047303
SMILES CCCOc1ccc(cc1)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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-3-17-34-22-11-9-20(10-12-22)24-23(25(31)21-7-5-19(2)6-8-21)26(32)27(33)30(24)15-4-14-29-16-13-28-18-29/h5-13,16,18,24,31H,3-4,14-15,17H2,1-2H3/b25-23+InChIKey
HSSLXEZFZCTVSM-WJTDDFOZSA-NSynonyms
799832-76-1(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
799832761
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC27H29N3O4c1317342211920(101222)2423(25(31)217519(2)6821)26(32)27(33)30(24)15414291613281829h51316182431H34141517H212H3b2523+
MFCD18249042
ZINC000102882757
ZINC000102882760
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