Vitas-M small molecule compound
(2Z)-2-(4-bromobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK591723
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)Br)/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 C22H23BrN2O4 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O4/c23-16-3-1-15(2-4-16)13-20-21(28)17-5-6-19(27)18(22(17)29-20)14-25-9-7-24(8-10-25)11-12-26/h1-6,13,26-27H,7-12,14H2/b20-13-InChIKey
ALWNETSKTSQGRI-MOSHPQCFSA-NSynonyms
896806-60-3(2Z)2((4BROMOPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((4bromophenyl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(4bromobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((4BROMOPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Br)C3=O)(O))CCO
InChI=1SC22H23BrN2O4c23163115(2416)132021(28)175619(27)18(22(17)2920)14259724(81025)111226h16132627H71214H2b2013
MFCD06595409
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)Br)C2=O
ZINC000019371062
ZINC19371062
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