Vitas-M small molecule compound

(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK624496
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCN(CC1)C)[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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-4-29-15-17(20-14-18(32-3)5-7-22(20)29)13-24-25(31)19-6-8-23(30)21(26(19)33-24)16-28-11-9-27(2)10-12-28/h5-8,13-15,30H,4,9-12,16H2,1-3H3/b24-13+
InChIKey
XIVHYGMAEFNNNU-ZMOGYAJESA-N
Synonyms
929855-60-7
(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy7((4methylpiperazin1yl)methyl)1benzofuran3one
929855607
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCN(CC5)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCN(CC1)C)(O))cn2CC
InChI=1SC26H29N3O4c14291517(201418(323)5722(20)29)132425(31)196823(30)21(26(19)3324)162811927(2)101228h58131530H491216H213H3b2413+
MFCD09796876
ZINC000020649603
ZINC20649603

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Available files

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