Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK570813
SMILES CCCCCOc1ccc(cc1)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/c1-3-4-5-17-38-25-10-7-22(8-11-25)28-27(29(35)23-9-12-26-24(19-23)18-21(2)39-26)30(36)31(37)34(28)15-6-14-33-16-13-32-20-33/h7-13,16,19-21,28,35H,3-6,14-15,17-18H2,1-2H3/b29-27+InChIKey
PZNROVYMGXBGRG-ORIPQNMZSA-NSynonyms
877795-12-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877795125
CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5
CCCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC31H35N3O5c134517382510722(81125)2827(29(35)239122624(1923)1821(2)3926)30(36)31(37)34(28)15614331613322033h7131619212835H3614151718H212H3b2927+
MFCD18245384
ZINC000102564306
ZINC000102655446
Check stock
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Check stock on Vitas-MAvailable files
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