Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL039660
SMILES CCOc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-4-35-22-10-6-20(7-11-22)25-24(26(32)21-8-12-23(13-9-21)36-19(2)3)27(33)28(34)31(25)16-5-15-30-17-14-29-18-30/h6-14,17-19,25,32H,4-5,15-16H2,1-3H3/b26-24+InChIKey
IWNWLZJNQHBPGC-SHHOIMCASA-NSynonyms
383898-67-7(4E)5(4ETHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
383898677
5(4ETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)3PYRROLIN2ONE
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCOc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC28H31N3O5c14352210620(71122)2524(26(32)2181223(13921)3619(2)3)27(33)28(34)31(25)16515301714291830h61417192532H451516H213H3b2624+
MFCD18247871
ZINC000102864369
ZINC000102864372
Check stock
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Check stock on Vitas-MAvailable files
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