Vitas-M small molecule compound

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

Catalog ID
STK622511
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCN(CC1)C)[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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-3-28-15-17(18-6-4-5-7-21(18)28)14-23-24(30)19-8-9-22(29)20(25(19)31-23)16-27-12-10-26(2)11-13-27/h4-9,14-15,29H,3,10-13,16H2,1-2H3/b23-14+
InChIKey
BLAXCJVKIWJQCM-OEAKJJBVSA-N
Synonyms
929440-13-1
(2E)2((1ethyl1Hindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethylindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
929440131
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCN(CC5)C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC25H27N3O3c13281517(18645721(18)28)142324(30)198922(29)20(25(19)3123)1627121026(2)111327h49141529H3101316H212H3b2314+
MFCD09792566
ZINC000020646989
ZINC20646989

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Available files

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