Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856730
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c1-15-8-10-25(11-9-15)14-19-20(26)7-6-18-23(27)22(29-24(18)19)13-17-12-16-4-2-3-5-21(16)28-17/h2-7,12-13,15,26H,8-11,14H2,1H3/b22-13-InChIKey
AECJGBKHFURGOP-XKZIYDEJSA-NSynonyms
951954-26-0(2Z)2(1benzofuran2ylmethylidene)6hydroxy7((4methylpiperidin1yl)methyl)1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
951954260
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
CC1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC24H23NO4c11581025(11915)141920(26)761823(27)22(2924(18)19)13171216423521(16)2817h2712131526H81114H21H3b2213
MFCD09858802
ZINC000013735530
ZINC13735530
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