Vitas-M small molecule compound

(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK623123
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C24H24N2O4 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4/c1-2-26-14-16(17-5-3-4-6-20(17)26)13-22-23(28)18-7-8-21(27)19(24(18)30-22)15-25-9-11-29-12-10-25/h3-8,13-14,27H,2,9-12,15H2,1H3/b22-13+
InChIKey
ZBDQVKSQBBZJIX-LPYMAVHISA-N
Synonyms
929512-58-3
(2E)2((1ethyl1Hindol3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethylindol3yl)methylidene)6hydroxy7(morpholin4ylmethyl)1benzofuran3one
929512583
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCOCC5
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC24H24N2O4c12261416(17534620(17)26)132223(28)187821(27)19(24(18)3022)152591129121025h38131427H291215H21H3b2213+
MFCD09794839
ZINC000020625037
ZINC20625037

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Available files

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