Vitas-M small molecule compound
(2Z)-7-[(dipropylammonio)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855956
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(o1)C)/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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-4-10-22(11-5-2)13-17-18(23)9-8-16-20(24)19(26-21(16)17)12-15-7-6-14(3)25-15/h6-9,12,23H,4-5,10-11,13H2,1-3H3/b19-12-InChIKey
JLAACRBITVZNKC-UNOMPAQXSA-NSynonyms
929398-23-2(2Z)7((dipropylammonio)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dipropylazaniumyl)methyl)2((5methylfuran2yl)methylidene)3oxo1benzofuran6olate
929398232
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O)CCC
CCC(NH+)(CCC)CC1=C(C=CC2=C1OC(=CC3=CC=C(O3)C)C2=O)(O)
InChI=1SC21H25NO4c141022(1152)131718(23)981620(24)19(2621(16)17)12157614(3)2515h691223H45101113H213H3b1912
MFCD09793551
ZINC000020650008
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