Vitas-M small molecule compound
(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK630184
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCN(CC1)C)[O-])cn2C
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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-26-8-10-28(11-9-26)15-20-22(29)7-5-18-24(30)23(32-25(18)20)12-16-14-27(2)21-6-4-17(31-3)13-19(16)21/h4-7,12-14,29H,8-11,15H2,1-3H3/b23-12+InChIKey
AWGLVRNIGBEMOU-FSJBWODESA-NSynonyms
929434-10-6(2E)2((5methoxy1methyl1Hindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)6hydroxy2((5methoxy1methylindol3yl)methylidene)7((4methylpiperazin1yl)methyl)1benzofuran3one
929434106
CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)O
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCN(CC1)C)(O))cn2C
InChI=1SC25H27N3O4c12681028(11926)152022(29)751824(30)23(3225(18)20)12161427(2)216417(313)1319(16)21h47121429H81115H213H3b2312+
MFCD09795394
ZINC000020647446
ZINC20647446
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