Vitas-M small molecule compound
(2Z)-2-(furan-2-ylmethylidene)-4-methyl-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855768
SMILES [O-]c1cc(C)c2c(c1C[NH+]1CCCCC1)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/c1-13-10-16(22)15(12-21-7-3-2-4-8-21)20-18(13)19(23)17(25-20)11-14-6-5-9-24-14/h5-6,9-11,22H,2-4,7-8,12H2,1H3/b17-11-InChIKey
VJVBHLFMVUHFPP-BOPFTXTBSA-NSynonyms
903862-78-2(2Z)2(furan2ylmethylidene)4methyl3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(furan2ylmethylidene)4methyl3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(O)c1cc(C)c2c(c1C(NH+)1CCCCC1)OC(=Cc1ccco1)C2=O
903862782
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CO3)O2)C(NH+)4CCCCC4)(O)
InChI=1SC20H21NO4c1131016(22)15(12217324821)2018(13)19(23)17(2520)11146592414h5691122H247812H21H3b1711
MFCD08290413
ZINC000020589740
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