Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848407
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-23-6-8-24(9-7-23)12-16-17(25)4-3-15-21(26)20(29-22(15)16)11-14-2-5-18-19(10-14)28-13-27-18/h2-5,10-11,25H,6-9,12-13H2,1H3/b20-11-InChIKey
FBYPIWMBJKJOCA-JAIQZWGSSA-NSynonyms
900277-24-9(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2(13benzodioxol5ylmethylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)6HYDROXY7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
900277249
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)(O)
InChI=1SC22H22N2O5c1236824(9723)121617(25)431521(26)20(2922(15)16)1114251819(1014)28132718h25101125H691213H21H3b2011
MFCD06612110
ZINC000020533460
ZINC20533460
Check stock
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