Vitas-M small molecule compound
(2Z)-2-(3-bromobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK577230
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)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/c23-16-3-1-2-15(12-16)13-20-21(28)17-4-5-19(27)18(22(17)29-20)14-25-8-6-24(7-9-25)10-11-26/h1-5,12-13,26-27H,6-11,14H2/b20-13-InChIKey
YYTGHTDUQRDKIM-MOSHPQCFSA-NSynonyms
896854-20-9(2Z)2((3BROMOPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((3bromophenyl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(3bromobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((3BROMOPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)Br)C3=O)(O))CCO
InChI=1SC22H23BrN2O4c231631215(1216)132021(28)174519(27)18(22(17)2920)14258624(7925)101126h1512132627H61114H2b2013
MFCD06603888
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)Br)C2=O
ZINC000019371662
ZINC19371662
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