Vitas-M small molecule compound

(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK624352
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCCC1C)[O-])cn2CC

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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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-4-28-15-18(21-14-19(32-3)8-10-23(21)28)13-25-26(31)20-9-11-24(30)22(27(20)33-25)16-29-12-6-5-7-17(29)2/h8-11,13-15,17,30H,4-7,12,16H2,1-3H3/b25-13+
InChIKey
MMZUPYWJHZJXHG-DHRITJCHSA-N
Synonyms
929444-28-0
(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3one
929444280
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCCC5C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCCCC1C)(O))cn2CC
InChI=1SC27H30N2O4c14281518(211419(323)81023(21)28)132526(31)2091124(30)22(27(20)3325)16291265717(29)2h81113151730H471216H213H3b2513+
MFCD09797903
ZINC000020649756
ZINC000020649759

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Available files

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