Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851382
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCCC1)O/C(=C\c1ccco1)/C2=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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c22-17-8-7-15-19(23)18(12-14-6-5-11-24-14)25-20(15)16(17)13-21-9-3-1-2-4-10-21/h5-8,11-12,22H,1-4,9-10,13H2/b18-12-InChIKey
RYTGJEDNSHDPJS-PDGQHHTCSA-NSynonyms
900272-18-6(2Z)7(azepanium1ylmethyl)2(furan2ylmethylidene)3oxo23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCCCCC1)OC(=Cc1ccco1)C2=O
900272186
C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)O
InChI=1SC20H21NO4c2217871519(23)18(121465112414)2520(15)16(17)1321931241021h58111222H1491013H2b1812
MFCD06611892
ZINC000002355120
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