Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(pentyloxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK600237
SMILES CCCCCOc1ccc(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 C32H37N3O7 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O7/c1-3-5-6-16-40-24-10-8-22(19-26(24)39-4-2)29-28(30(36)23-9-11-25-27(20-23)42-18-17-41-25)31(37)32(38)35(29)14-7-13-34-15-12-33-21-34/h8-12,15,19-21,29,36H,3-7,13-14,16-18H2,1-2H3/b30-28+InChIKey
QORCTSBGWYPVNN-SJCQXOIGSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4(pentyloxy)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC32H37N3O7c135616402410822(1926(24)3942)2928(30(36)239112527(2023)4218174125)31(37)32(38)35(29)14713341512332134h8121519212936H3713141618H212H3b3028+
MFCD07204776
ZINC000102689449
ZINC000102689454
Check stock
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Check stock on Vitas-MAvailable files
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