Vitas-M small molecule compound
(2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3(2H)-one
Catalog ID
STK992183
SMILES OCCN1CCN(CC1)Cc1c(O)cc(c2c1O/C(=C\c1cccs1)/C2=O)C
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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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-14-11-17(25)16(13-23-6-4-22(5-7-23)8-9-24)21-19(14)20(26)18(27-21)12-15-3-2-10-28-15/h2-3,10-12,24-25H,4-9,13H2,1H3/b18-12-InChIKey
RAQKZANCTCEKAS-PDGQHHTCSA-NSynonyms
903864-27-7(2Z)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)4methyl2(thiophen2ylmethylidene)1benzofuran3(2H)one
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo2(thiophen2ylmethylidene)1benzofuran6olate
(Z)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)4methyl2(thiophen2ylmethylene)benzofuran3(2H)one
903864277
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CS3)O2)C(NH+)4CCN(CC4)CCO)(O)
InChI=1SC21H24N2O4Sc1141117(25)16(13236422(5723)8924)2119(14)20(26)18(2721)121532102815h2310122425H4913H21H3b1812
OCCN1CCN(CC1)Cc1c(O)cc(c2c1OC(=Cc1cccs1)C2=O)C
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