Vitas-M small molecule compound
(2Z)-2-(4-tert-butylbenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK597615
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(C)(C)C)/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 C26H32N2O4 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4/c1-26(2,3)19-6-4-18(5-7-19)16-23-24(31)20-8-9-22(30)21(25(20)32-23)17-28-12-10-27(11-13-28)14-15-29/h4-9,16,29-30H,10-15,17H2,1-3H3/b23-16-InChIKey
DEXHXASOJYTRII-KQWNVCNZSA-NSynonyms
1177494-33-5(2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2(4tertbutylbenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((4(TERTBUTYL)PHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
2(1(4TERTBUTYLPHENYL)METH(Z)YLIDENE)6HYDROXY7(4(2HYDROXYETHYL)PIPERAZIN1YLMETHYL)BENZOFURAN3ONE
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO
InChI=1SC26H32N2O4c126(23)196418(5719)162324(31)208922(30)21(25(20)3223)1728121027(111328)141529h49162930H101517H213H3b2316
MFCD06594431
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C(C)(C)C)C2=O
ZINC000019370937
ZINC19370937
Check stock
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Check stock on Vitas-MAvailable files
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