Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629667
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/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 C24H24N2O5 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5/c27-12-11-25-7-9-26(10-8-25)15-19-20(28)6-5-18-23(29)22(31-24(18)19)14-17-13-16-3-1-2-4-21(16)30-17/h1-6,13-14,27-28H,7-12,15H2/b22-14-InChIKey
KGBSPUIQIAEBOS-HMAPJEAMSA-NSynonyms
929963-36-0(2Z)2(1benzofuran2ylmethylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC24H24N2O5c271211257926(10825)151920(28)651823(29)22(3124(18)19)14171316312421(16)3017h1613142728H71215H2b2214
MFCD09791986
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
ZINC000022807681
ZINC22807681
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