Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-{[bis(2-methylpropyl)ammonio]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK631227
SMILES CC(C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)C)CC(C)C)C
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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 C27H31NO4 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4/c1-16(2)13-28(14-17(3)4)15-21-22(29)10-18(5)25-26(30)24(32-27(21)25)12-20-11-19-8-6-7-9-23(19)31-20/h6-12,16-17,29H,13-15H2,1-5H3/b24-12-InChIKey
OQJAVNIHGRVLGU-MSXFZWOLSA-NSynonyms
929821-98-7(2Z)2(1benzofuran2ylmethylidene)7((bis(2methylpropyl)ammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((bis(2methylpropyl)azaniumyl)methyl)4methyl3oxo1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CC(C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C)CC(C)C)C
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C(NH+)(CC(C)C)CC(C)C)(O)
InChI=1SC27H31NO4c116(2)1328(1417(3)4)152122(29)1018(5)2526(30)24(3227(21)25)12201119867923(19)3120h612161729H1315H215H3b2412
MFCD09798033
ZINC000020650339
ZINC20650339
Check stock
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