Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK570716
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C31H35N3O7 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O7/c1-3-5-15-39-23-9-7-21(18-25(23)38-4-2)28-27(29(35)22-8-10-24-26(19-22)41-17-16-40-24)30(36)31(37)34(28)13-6-12-33-14-11-32-20-33/h7-11,14,18-20,28,35H,3-6,12-13,15-17H2,1-2H3/b29-27+InChIKey
AFZZLUJKUDGPFR-ORIPQNMZSA-NSynonyms
(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC31H35N3O7c1351539239721(1825(23)3842)2827(29(35)228102426(1922)4117164024)30(36)31(37)34(28)13612331411322033h7111418202835H3612131517H212H3b2927+
MFCD18245379
ZINC000102655795
ZINC000102655797
Check stock
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