Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856165
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c[nH]c3c1cccc3)/C2=O)CC
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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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-3-24(4-2)13-17-19(25)10-9-16-21(26)20(27-22(16)17)11-14-12-23-18-8-6-5-7-15(14)18/h5-12,23,25H,3-4,13H2,1-2H3/b20-11-InChIKey
RAYSKXVOBNJPLJ-JAIQZWGSSA-NSynonyms
896808-67-6(2Z)7((diethylammonio)methyl)2(1Hindol3ylmethylidene)3oxo23dihydro1benzofuran6olate
(2Z)7(DIETHYLAMINOMETHYL)6HYDROXY2(1HINDOL3YLMETHYLIDENE)1BENZOFURAN3ONE
7((DIETHYLAMINO)METHYL)6HYDROXY2(INDOL3YLMETHYLENE)BENZO(B)FURAN3ONE
896808676
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1c(nH)c3c1cccc3)C2=O)CC
CCN(CC)CC1=C(C=CC2=C1OC(=CC3=CNC4=CC=CC=C43)C2=O)O
InChI=1SC22H22N2O3c1324(42)131719(25)1091621(26)20(2722(16)17)1114122318865715(14)18h5122325H3413H212H3b2011
MFCD06595482
ZINC000020648838
ZINC20648838
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