Vitas-M small molecule compound
(2Z)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854447
SMILES CN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)C
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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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-14-10-17(25)16(13-24-8-6-23(2)7-9-24)21-19(14)20(26)18(27-21)11-15-4-3-5-22-12-15/h3-5,10-12,25H,6-9,13H2,1-2H3/b18-11-InChIKey
RHRBWBSVSMPWGS-WQRHYEAKSA-NSynonyms
904009-56-9(2Z)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl7((4methylpiperazin1yl)methyl)2(pyridin3ylmethylidene)1benzofuran3one
904009569
CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)CN4CCN(CC4)C)O
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C
InChI=1SC21H23N3O3c1141017(25)16(13248623(2)7924)2119(14)20(26)18(2721)1115435221215h35101225H6913H212H3b1811
MFCD08289435
ZINC000022883075
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