Vitas-M small molecule compound
(2Z)-3-oxo-7-(piperidinium-1-ylmethyl)-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850986
SMILES O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2C[NH+]1CCCCC1)[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 C20H20N2O3 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3/c23-17-5-4-15-19(24)18(12-14-6-8-21-9-7-14)25-20(15)16(17)13-22-10-2-1-3-11-22/h4-9,12,23H,1-3,10-11,13H2/b18-12-InChIKey
XUZFOABLDIWBTO-PDGQHHTCSA-NSynonyms
896831-48-4(2Z)3oxo7(piperidinium1ylmethyl)2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
(2Z)6HYDROXY7(PIPERIDIN1YLMETHYL)2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
6HYDROXY7(PIPERIDYLMETHYL)2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896831484
C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O
InChI=1SC20H20N2O3c2317541519(24)18(121468219714)2520(15)16(17)1322102131122h491223H13101113H2b1812
MFCD06599219
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2C(NH+)1CCCCC1)(O)
ZINC000020518047
ZINC20518047
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