Vitas-M small molecule compound
(2Z)-3-oxo-7-(piperidinium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850752
SMILES O=C1/C(=C/c2cccnc2)/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/c23-17-7-6-15-19(24)18(11-14-5-4-8-21-12-14)25-20(15)16(17)13-22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2/b18-11-InChIKey
JXDZZHKAQFMUKP-WQRHYEAKSA-NSynonyms
899389-90-3(2Z)3oxo7(piperidin1ium1ylmethyl)2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)3oxo7(piperidinium1ylmethyl)2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)6HYDROXY7(PIPERIDIN1YLMETHYL)2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
6HYDROXY7(PIPERIDYLMETHYL)2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
899389903
C1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)(O)
InChI=1SC20H20N2O3c2317761519(24)18(1114548211214)2520(15)16(17)132292131022h48111223H1391013H2b1811
MFCD06606150
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2C(NH+)1CCCCC1)(O)
ZINC000013207149
ZINC13207149
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