Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK576611
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c26-11-10-23-6-8-24(9-7-23)14-18-19(27)5-4-17-21(28)20(31-22(17)18)13-15-2-1-3-16(12-15)25(29)30/h1-5,12-13,26-27H,6-11,14H2/b20-13-InChIKey
RUOPXVLKXYGDIK-MOSHPQCFSA-NSynonyms
896850-61-6(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2((3NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((3nitrophenyl)methylidene)3oxo1benzofuran6olate
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2(3nitrobenzylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((3NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=O)(O))CCO
InChI=1SC22H23N3O6c261110236824(9723)141819(27)541721(28)20(3122(17)18)131521316(1215)25(29)30h1512132627H61114H2b2013
MFCD06603200
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)(N+)(=O)(O))C2=O
ZINC000002237686
ZINC2237686
Check stock
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Check stock on Vitas-MAvailable files
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