Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)amino]methyl}-6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-1-benzofuran-3(2H)-one
Catalog ID
STK992735
SMILES COc1ccc2c(c1)c(/C=C/1\Oc3c(C1=O)ccc(c3CN(CC(C)C)CC(C)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 C28H34N2O4 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O4/c1-17(2)13-30(14-18(3)4)16-23-25(31)10-8-21-27(32)26(34-28(21)23)11-19-15-29(5)24-9-7-20(33-6)12-22(19)24/h7-12,15,17-18,31H,13-14,16H2,1-6H3/b26-11-InChIKey
ZLRZQFAKPQVGFC-RAWMCFOBSA-NSynonyms
(2Z)7((bis(2methylpropyl)amino)methyl)6hydroxy2((5methoxy1methyl1Hindol3yl)methylidene)1benzofuran3(2H)one
(2Z)7((bis(2methylpropyl)azaniumyl)methyl)2((5methoxy1methylindol3yl)methylidene)3oxo1benzofuran6olate
(E)7((diisobutylamino)methyl)6hydroxy2((5methoxy1methyl1Hindol3yl)methylene)benzofuran3(2H)one
7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY2((5METHOXY1METHYLINDOL3YL)METHYLENE)BENZO(B)FURAN3ONE
CC(C)C(NH+)(CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)(O))CC(C)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3CN(CC(C)C)CC(C)C)O)cn2C
InChI=1SC28H34N2O4c117(2)1330(1418(3)4)162325(31)1082127(32)26(3428(21)23)11191529(5)249720(336)1222(19)24h71215171831H131416H216H3b2611
MFCD18184618
ZINC000028182441
ZINC28182441
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.