Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL053349
SMILES COc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)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 C32H31N3O5 MW 537.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O5/c1-22-5-3-6-23(19-22)20-40-27-13-9-25(10-14-27)30(36)28-29(24-7-11-26(39-2)12-8-24)35(32(38)31(28)37)17-4-16-34-18-15-33-21-34/h3,5-15,18-19,21,29,36H,4,16-17,20H2,1-2H3/b30-28+InChIKey
UXSHLOMFHSHFCR-SJCQXOIGSA-NSynonyms
840460-13-1(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
840460131
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)OC)O
COc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1cccc(c1)C)(O)
InChI=1SC32H31N3O5c12253623(1922)20402713925(101427)30(36)2829(2471126(392)12824)35(32(38)31(28)37)17416341815332134h35151819212936H4161720H212H3b3028+
MFCD18249529
ZINC000102891016
ZINC000102891018
Check stock
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Check stock on Vitas-MAvailable files
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