Vitas-M small molecule compound
(2E)-2-(1-benzofuran-2-ylmethylidene)-7-[(dipropylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK624443
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cc3c(o1)cccc3)/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 C24H25NO4 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO4/c1-3-11-25(12-4-2)15-19-20(26)10-9-18-23(27)22(29-24(18)19)14-17-13-16-7-5-6-8-21(16)28-17/h5-10,13-14,26H,3-4,11-12,15H2,1-2H3/b22-14+InChIKey
OLZKXKQHUCMHPA-HYARGMPZSA-NSynonyms
929828-41-1(2E)2(1benzofuran2ylmethylidene)7((dipropylammonio)methyl)3oxo23dihydro1benzofuran6olate
(2E)2(1benzofuran2ylmethylidene)7((dipropylazaniumyl)methyl)3oxo1benzofuran6olate
929828411
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O)CCC
CCC(NH+)(CCC)CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)(O)
InChI=1SC24H25NO4c131125(1242)151920(26)1091823(27)22(2924(18)19)14171316756821(16)2817h510131426H34111215H212H3b2214+
MFCD09789732
ZINC000020647778
ZINC20647778
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