Vitas-M small molecule compound
(2Z)-7-[(dibutylamino)methyl]-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3(2H)-one
Catalog ID
STL035002
SMILES CCCCN(Cc1c(O)ccc2c1O/C(=C\c1cn(c3c1cc(OC)cc3)CC)/C2=O)CCCC
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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 C29H36N2O4 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O4/c1-5-8-14-30(15-9-6-2)19-24-26(32)13-11-22-28(33)27(35-29(22)24)16-20-18-31(7-3)25-12-10-21(34-4)17-23(20)25/h10-13,16-18,32H,5-9,14-15,19H2,1-4H3/b27-16-InChIKey
PHRADTFBOXLGHS-YUMHPJSZSA-NSynonyms
(2Z)7((dibutylamino)methyl)2((1ethyl5methoxy1Hindol3yl)methylidene)6hydroxy1benzofuran3(2H)one
(2Z)7((dibutylazaniumyl)methyl)2((1ethyl5methoxyindol3yl)methylidene)3oxo1benzofuran6olate
(E)7((dibutylamino)methyl)2((1ethyl5methoxy1Hindol3yl)methylene)6hydroxybenzofuran3(2H)one
7((DIBUTYLAMINO)METHYL)2((1ETHYL5METHOXYINDOL3YL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(CCCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)CC)C2=O)(O)
CCCCN(Cc1c(O)ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)CC)C2=O)CCCC
InChI=1SC29H36N2O4c1581430(15962)192426(32)13112228(33)27(3529(22)24)16201831(73)25121021(344)1723(20)25h1013161832H59141519H214H3b2716
MFCD18191959
ZINC000028182818
ZINC28182818
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