Vitas-M small molecule compound
(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628513
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCC(CC1)C)[O-]
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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 C26H28N2O3 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3/c1-3-28-15-18(19-6-4-5-7-22(19)28)14-24-25(30)20-8-9-23(29)21(26(20)31-24)16-27-12-10-17(2)11-13-27/h4-9,14-15,17,29H,3,10-13,16H2,1-2H3/b24-14+InChIKey
RVUQFKZGAIBBJW-ZVHZXABRSA-NSynonyms
929444-22-4(2E)2((1ethyl1Hindol3yl)methylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethylindol3yl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
929444224
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCC(CC5)C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCC(CC1)C)(O)
InChI=1SC26H28N2O3c13281518(19645722(19)28)142425(30)208923(29)21(26(20)3124)1627121017(2)111327h4914151729H3101316H212H3b2414+
MFCD09789405
ZINC000020649042
ZINC20649042
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