Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[3-methoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL057189
SMILES CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)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 C32H37N3O6 MW 559.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O6/c1-4-5-6-16-40-26-11-8-22(19-27(26)39-3)29-28(30(36)23-9-10-25-24(18-23)17-21(2)41-25)31(37)32(38)35(29)14-7-13-34-15-12-33-20-34/h8-12,15,18-21,29,36H,4-7,13-14,16-17H2,1-3H3/b30-28+InChIKey
MFWFIHNKYWZJBQ-SJCQXOIGSA-NSynonyms
893697-83-1(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3imidazol1ylpropyl)5(3methoxy4pentoxyphenyl)pyrrolidine23dione
(E)(1(3(1Himidazol3ium1yl)propyl)2(3methoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
893697831
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5)OC
CCCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC32H37N3O6c145616402611822(1927(26)393)2928(30(36)239102524(1823)1721(2)4125)31(37)32(38)35(29)14713341512332034h8121518212936H4713141617H213H3b3028+
MFCD18249792
ZINC000102899306
ZINC000102899312
Check stock
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Check stock on Vitas-MAvailable files
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