Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL053179
SMILES CCCCCOc1cccc(c1)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 C31H35N3O5 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O5/c1-3-4-5-16-38-25-9-6-8-22(19-25)28-27(29(35)23-10-11-26-24(18-23)17-21(2)39-26)30(36)31(37)34(28)14-7-13-33-15-12-32-20-33/h6,8-12,15,18-21,28,35H,3-5,7,13-14,16-17H2,1-2H3/b29-27+InChIKey
CFUJCKNZJDWNJO-ORIPQNMZSA-NSynonyms
877622-71-4(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877622714
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC31H35N3O5c134516382596822(1925)2827(29(35)2310112624(1823)1721(2)3926)30(36)31(37)34(28)14713331512322033h68121518212835H35713141617H212H3b2927+
MFCD18249521
ZINC000102890924
ZINC000102890932
Check stock
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