Vitas-M small molecule compound
(E)-{2-(4-ethylphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL040923
SMILES CCc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-3-19-5-7-20(8-6-19)25-24(26(32)21-9-10-23-22(16-21)15-18(2)35-23)27(33)28(34)31(25)13-4-12-30-14-11-29-17-30/h5-11,14,16-18,25,32H,3-4,12-13,15H2,1-2H3/b26-24+InChIKey
VEAJDPQPRDKMOX-SHHOIMCASA-NSynonyms
850901-88-1(4E)5(4ETHYLPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethylphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
850901881
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC28H29N3O4c13195720(8619)2524(26(32)219102322(1621)1518(2)3523)27(33)28(34)31(25)13412301411291730h5111416182532H34121315H212H3b2624+
MFCD18248069
ZINC000102867513
ZINC000102867521
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