Vitas-M small molecule compound
(2Z)-2-(1H-indol-3-ylmethylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856107
SMILES O=C1/C(=C/c2c[nH]c3c2cccc3)/Oc2c1ccc(c2C[NH+]1CCCC1)[O-]
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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 C22H20N2O3 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3/c25-19-8-7-16-21(26)20(11-14-12-23-18-6-2-1-5-15(14)18)27-22(16)17(19)13-24-9-3-4-10-24/h1-2,5-8,11-12,23,25H,3-4,9-10,13H2/b20-11-InChIKey
JUGLJQQLRSXMGA-JAIQZWGSSA-NSynonyms
899407-51-3(2Z)2(1Hindol3ylmethylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(1Hindol3ylmethylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
899407513
C1CC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)(O)
InChI=1SC22H20N2O3c2519871621(26)20(1114122318621515(14)18)2722(16)17(19)13249341024h125811122325H3491013H2b2011
MFCD06606157
O=C1C(=Cc2c(nH)c3c2cccc3)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002327428
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