Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK589697
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c25-11-10-23-6-8-24(9-7-23)14-17-18(26)4-3-16-20(27)19(28-21(16)17)12-15-2-1-5-22-13-15/h1-5,12-13,25-26H,6-11,14H2/b19-12-InChIKey
RHQQFWLLKSNZJO-UNOMPAQXSA-NSynonyms
900289-89-6(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O
InChI=1SC21H23N3O4c251110236824(9723)141718(26)431620(27)19(2821(16)17)1215215221315h1512132526H61114H2b1912
MFCD06614105
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O
ZINC000022867194
ZINC22867194
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