Vitas-M small molecule compound

(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856213
SMILES CN1CC[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 C23H22N2O4 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4/c1-24-8-10-25(11-9-24)14-18-19(26)7-6-17-22(27)21(29-23(17)18)13-16-12-15-4-2-3-5-20(15)28-16/h2-7,12-13,26H,8-11,14H2,1H3/b21-13-
InChIKey
LJIBQJQMFNKHNC-BKUYFWCQSA-N
Synonyms
929837-39-8
(2Z)2(1benzofuran2ylmethylidene)6hydroxy7((4methylpiperazin1yl)methyl)1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
929837398
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC23H22N2O4c12481025(11924)141819(26)761722(27)21(2923(17)18)13161215423520(15)2816h27121326H81114H21H3b2113
MFCD09790985
ZINC000020649541
ZINC20649541

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Available files

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