Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-{[bis(2-methylpropyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626681
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)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 C26H29NO4 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4/c1-16(2)13-27(14-17(3)4)15-21-22(28)10-9-20-25(29)24(31-26(20)21)12-19-11-18-7-5-6-8-23(18)30-19/h5-12,16-17,28H,13-15H2,1-4H3/b24-12-InChIKey
OXMRDVYBLCAZEH-MSXFZWOLSA-NSynonyms
929833-00-1(2Z)2(1benzofuran2ylmethylidene)7((bis(2methylpropyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((bis(2methylpropyl)azaniumyl)methyl)3oxo1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O)CC(C)C)C
CC(C)C(NH+)(CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)(O))CC(C)C
InChI=1SC26H29NO4c116(2)1327(1417(3)4)152122(28)1092025(29)24(3126(20)21)12191118756823(18)3019h512161728H1315H214H3b2412
MFCD09795873
ZINC000013655308
ZINC13655308
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