Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK584278
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-14-4-11-28-19(14)12-18-20(26)15-2-3-17(25)16(21(15)27-18)13-23-7-5-22(6-8-23)9-10-24/h2-4,11-12,24-25H,5-10,13H2,1H3/b18-12-InChIKey
QVGMPRZXSDXPIT-PDGQHHTCSA-NSynonyms
896078-23-2(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2((3METHYLTHIOPHEN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((3METHYL(2THIENYL))METHYLENE)BENZO(B)FURAN3ONE
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO
InChI=1SC21H24N2O4Sc1144112819(14)121820(26)152317(25)16(21(15)2718)13237522(6823)91024h2411122425H51013H21H3b1812
MFCD06592612
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
ZINC000022939628
ZINC22939628
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