Vitas-M small molecule compound

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

Catalog ID
STK628250
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCC1)[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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-3-27-14-16(19-13-17(30-2)6-8-21(19)27)12-23-24(29)18-7-9-22(28)20(25(18)31-23)15-26-10-4-5-11-26/h6-9,12-14,28H,3-5,10-11,15H2,1-2H3/b23-12+
InChIKey
AQFIOECKMYMLRL-FSJBWODESA-N
Synonyms
929868-85-9
(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
929868859
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCC5
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCCC1)(O))cn2CC
InChI=1SC25H26N2O4c13271416(191317(302)6821(19)27)122324(29)187922(28)20(25(18)3123)152610451126h69121428H35101115H212H3b2312+
MFCD09792898
ZINC000020624820
ZINC20624820

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Available files

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