Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-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
STL042862
SMILES C=CCOc1ccc(cc1OCC)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 C31H33N3O6 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O6/c1-4-15-39-25-10-7-21(18-26(25)38-5-2)28-27(29(35)22-8-9-24-23(17-22)16-20(3)40-24)30(36)31(37)34(28)13-6-12-33-14-11-32-19-33/h4,7-11,14,17-20,28,35H,1,5-6,12-13,15-16H2,2-3H3/b29-27+InChIKey
YWYOZUPLJNVKMS-ORIPQNMZSA-NSynonyms
877622-00-9(4E)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4(prop2en1yloxy)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
877622009
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5C=CN=C5)OCC=C
InChI=1SC31H33N3O6c1415392510721(1826(25)3852)2827(29(35)22892423(1722)1620(3)4024)30(36)31(37)34(28)13612331411321933h47111417202835H15612131516H223H3b2927+
MFCD18248193
ZINC000101310335
ZINC000101310340
Check stock
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