Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK589326
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/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/c25-12-11-23-7-9-24(10-8-23)14-17-18(26)2-1-16-20(27)19(28-21(16)17)13-15-3-5-22-6-4-15/h1-6,13,25-26H,7-12,14H2/b19-13-InChIKey
VUJXMQDQBKVLSF-UYRXBGFRSA-NSynonyms
899384-66-8(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)1benzofuran6olate
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)(O))CCO
InChI=1SC21H23N3O4c251211237924(10823)141718(26)211620(27)19(2821(16)17)131535226415h16132526H71214H2b1913
MFCD06605817
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O
ZINC000022922242
ZINC22922242
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