Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK600098
SMILES OCCN1CC[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 C23H25BrN2O5 MW 489.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O5/c1-30-20-5-2-16(24)12-15(20)13-21-22(29)17-3-4-19(28)18(23(17)31-21)14-26-8-6-25(7-9-26)10-11-27/h2-5,12-13,27-28H,6-11,14H2,1H3/b21-13-InChIKey
KQHSNLFYPJJXTM-BKUYFWCQSA-NSynonyms
896811-16-8(2Z)2((5BROMO2METHOXYPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((5bromo2methoxyphenyl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(5bromo2methoxybenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMO2METHOXYPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)CCO
InChI=1SC23H25BrN2O5c130205216(24)1215(20)132122(29)173419(28)18(23(17)3121)14268625(7926)101127h2512132728H61114H21H3b2113
MFCD06596109
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O
ZINC000019371106
ZINC19371106
Check stock
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Check stock on Vitas-MAvailable files
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