Vitas-M small molecule compound
(2Z)-2-(furan-2-ylmethylidene)-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850914
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1O/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/c1-13-4-2-8-21(11-13)12-16-17(22)7-6-15-19(23)18(25-20(15)16)10-14-5-3-9-24-14/h3,5-7,9-10,13,22H,2,4,8,11-12H2,1H3/b18-10-InChIKey
QZDSHNHVLIJZHD-ZDLGFXPLSA-NSynonyms
1164475-84-6(2Z)2(FURAN2YLMETHYLIDENE)6HYDROXY7((3METHYLPIPERIDIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2(furan2ylmethylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
1164475846
2(1FURAN2YLMETH(Z)YLIDENE)6HYDROXY7(3METHYLPIPERIDIN1YLMETHYL)BENZOFURAN3ONE
2(2FURYLMETHYLENE)6HYDROXY7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1ccco1)C2=O
CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)O
InChI=1SC20H21NO4c11342821(1113)121617(22)761519(23)18(2520(15)16)10145392414h3579101322H2481112H21H3b1810
MFCD06599634
ZINC000020518113
ZINC000020518115
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