Vitas-M small molecule compound
(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK621463
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[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/c1-3-27-15-18(19-9-4-5-10-22(19)27)14-24-25(30)20-11-12-23(29)21(26(20)31-24)16-28-13-7-6-8-17(28)2/h4-5,9-12,14-15,17,29H,3,6-8,13,16H2,1-2H3/b24-14+InChIKey
YTEIWYKHMFUXPU-ZVHZXABRSA-NSynonyms
929444-39-3(2E)2((1ethyl1Hindol3yl)methylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethylindol3yl)methylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3one
929444393
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCCC5C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1C)(O)
InChI=1SC26H28N2O3c13271518(199451022(19)27)142425(30)20111223(29)21(26(20)3124)16281376817(28)2h4591214151729H3681316H212H3b2414+
MFCD09794655
ZINC000020647041
ZINC000020647044
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