Vitas-M small molecule compound
(2Z)-7-[(dipropylammonio)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856256
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O)CCC
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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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-4-9-22(10-5-2)13-16-17(23)7-6-15-20(24)18(25-21(15)16)12-19-14(3)8-11-26-19/h6-8,11-12,23H,4-5,9-10,13H2,1-3H3/b18-12-InChIKey
KZFBPGTVTWAIAK-PDGQHHTCSA-NSynonyms
929398-00-5(2Z)7((dipropylamino)methyl)6hydroxy2((3methylthiophen2yl)methylidene)1benzofuran3one
(2Z)7((dipropylammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
929398005
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)CCC
CCCN(CCC)CC1=C(C=CC2=C1OC(=CC3=C(C=CS3)C)C2=O)O
InChI=1SC21H25NO3Sc14922(1052)131617(23)761520(24)18(2521(15)16)121914(3)8112619h68111223H4591013H213H3b1812
MFCD09794669
ZINC000013655255
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