Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK857038
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/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 C23H25BrN2O4 MW 473.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O4/c1-3-25-8-10-26(11-9-25)14-18-19(27)6-5-17-22(28)21(30-23(17)18)13-15-12-16(24)4-7-20(15)29-2/h4-7,12-13,27H,3,8-11,14H2,1-2H3/b21-13-InChIKey
JHEQSJCRVRXAPE-BKUYFWCQSA-NSynonyms
929433-45-4(2Z)2((5bromo2methoxyphenyl)methylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(5bromo2methoxybenzylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
929433454
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)Br)OC)C3=O)(O)
InChI=1SC23H25BrN2O4c132581026(11925)141819(27)651722(28)21(3023(17)18)13151216(24)4720(15)292h47121327H381114H212H3b2113
MFCD09793057
ZINC000020663661
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