Vitas-M small molecule compound
(2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856919
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O)Cc1ccccc1
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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 C23H21NO3S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO3S/c1-15-10-11-28-21(15)12-20-22(26)17-8-9-19(25)18(23(17)27-20)14-24(2)13-16-6-4-3-5-7-16/h3-12,25H,13-14H2,1-2H3/b20-12-InChIKey
HAZFCVGPBUQMKX-NDENLUEZSA-NSynonyms
929456-69-9(2Z)7((benzyl(methyl)amino)methyl)6hydroxy2((3methylthiophen2yl)methylidene)1benzofuran3one
(2Z)7((benzyl(methyl)ammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
929456699
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)Cc1ccccc1
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN(C)CC4=CC=CC=C4
InChI=1SC23H21NO3Sc11510112821(15)122022(26)178919(25)18(23(17)2720)1424(2)13166435716h31225H1314H212H3b2012
MFCD09796462
ZINC000009048791
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