Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856749
SMILES CN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/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 C24H23BrN2O4 MW 483.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN2O4/c1-14-9-19(28)18(13-27-7-5-26(2)6-8-27)24-22(14)23(29)21(31-24)12-17-11-15-10-16(25)3-4-20(15)30-17/h3-4,9-12,28H,5-8,13H2,1-2H3/b21-12-InChIKey
ZLCBMNOKJIMTKE-MTJSOVHGSA-NSynonyms
929845-95-4(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)6hydroxy4methyl7((4methylpiperazin1yl)methyl)1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
929845954
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)CN5CCN(CC5)C)O
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
InChI=1SC24H23BrN2O4c114919(28)18(13277526(2)6827)2422(14)23(29)21(3124)121711151016(25)3420(15)3017h3491228H5813H212H3b2112
MFCD09798837
ZINC000020647197
ZINC20647197
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