Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(dimethylamino)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK568596
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccc(cc1)N(C)C
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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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c1-29(2)20-7-4-18(5-8-20)24-23(25(32)19-6-9-21-22(16-19)36-15-14-35-21)26(33)27(34)31(24)12-3-11-30-13-10-28-17-30/h4-10,13,16-17,24,32H,3,11-12,14-15H2,1-2H3/b25-23+InChIKey
AIDIZAMGQLJBRF-WJTDDFOZSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4(dimethylamino)phenyl)1(3imidazol1ylpropyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(4(dimethylamino)phenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CN(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
InChI=1SC27H28N4O5c129(2)207418(5820)2423(25(32)19692122(1619)3615143521)26(33)27(34)31(24)12311301310281730h4101316172432H311121415H212H3b2523+
MFCD18245237
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C(N1CCCn1c(nH+)cc1)c1ccc(cc1)N(C)C
ZINC000102652820
ZINC000102652822
Check stock
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Check stock on Vitas-MAvailable files
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