Vitas-M small molecule compound
(E)-(4-ethoxyphenyl){2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149487
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OCC)N(C(=O)C1=O)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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-3-34-21-10-6-19(7-11-21)24-23(25(31)20-8-12-22(13-9-20)35-4-2)26(32)27(33)30(24)16-5-15-29-17-14-28-18-29/h6-14,17-18,24,31H,3-5,15-16H2,1-2H3/b25-23+InChIKey
GLWJMKRDBQNRAW-WJTDDFOZSA-NSynonyms
385392-56-3(4E)5(4ETHOXYPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
385392563
5(4ETHOXYPHENYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)OCC)N(C(=O)C1=O)CCCn1c(nH+)cc1)(O)
InChI=1SC27H29N3O5c13342110619(71121)2423(25(31)2081222(13920)3542)26(32)27(33)30(24)16515291714281829h61417182431H351516H212H3b2523+
MFCD20755613
ZINC000102929621
ZINC000102929624
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