Vitas-M small molecule compound
(2Z)-6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3(2H)-one
Catalog ID
STK992623
SMILES COc1ccc2c(c1)c(/C=C/1\Oc3c(C1=O)ccc(c3CN1CCC(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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-16-8-10-28(11-9-16)15-21-23(29)7-5-19-25(30)24(32-26(19)21)12-17-14-27(2)22-6-4-18(31-3)13-20(17)22/h4-7,12-14,16,29H,8-11,15H2,1-3H3/b24-12-InChIKey
CEUFLGPMAPDAPH-MSXFZWOLSA-NSynonyms
(2Z)2((5methoxy1methylindol3yl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)6hydroxy2((5methoxy1methyl1Hindol3yl)methylidene)7((4methylpiperidin1yl)methyl)1benzofuran3(2H)one
(E)6hydroxy2((5methoxy1methyl1Hindol3yl)methylene)7((4methylpiperidin1yl)methyl)benzofuran3(2H)one
6HYDROXY2((5METHOXY1METHYLINDOL3YL)METHYLENE)7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CC(NH+)(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(c3CN1CCC(CC1)C)O)cn2C
InChI=1SC26H28N2O4c11681028(11916)152123(29)751925(30)24(3226(19)21)12171427(2)226418(313)1320(17)22h4712141629H81115H213H3b2412
MFCD18184599
ZINC000028182416
ZINC28182416
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