Vitas-M small molecule compound
(2Z)-2-benzylidene-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3(2H)-one
Catalog ID
STL033084
SMILES O=C1/C(=C/c2ccccc2)/Oc2c1ccc(c2CN1CCCCC1)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 C21H21NO3 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3/c23-18-10-9-16-20(24)19(13-15-7-3-1-4-8-15)25-21(16)17(18)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2/b19-13-InChIKey
KGKUOWSOZHXCPL-UYRXBGFRSA-NSynonyms
869077-43-0(2Z)2benzylidene3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2benzylidene6hydroxy7(piperidin1ylmethyl)1benzofuran3(2H)one
(2Z)2BENZYLIDENE6HYDROXY7(PIPERIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2(PHENYLMETHYLENE)7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
869077430
C1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4)C3=O)(O)
InChI=1SC21H21NO3c23181091620(24)19(13157314815)2521(16)17(18)1422115261222h1347101323H256111214H2b1913
MFCD06405753
O=C1C(=Cc2ccccc2)Oc2c1ccc(c2CN1CCCCC1)O
ZINC000004339615
ZINC4339615
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