Vitas-M small molecule compound
(2E)-7-[(dipropylammonio)methyl]-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626387
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)CC)/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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-5-12-28(13-6-2)17-22-24(30)11-9-20-26(31)25(33-27(20)22)14-18-16-29(7-3)23-10-8-19(32-4)15-21(18)23/h8-11,14-16,30H,5-7,12-13,17H2,1-4H3/b25-14+InChIKey
YQNUFVWNSQQJSQ-AFUMVMLFSA-NSynonyms
929402-73-3(2E)7((dipropylammonio)methyl)2((1ethyl5methoxy1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((dipropylazaniumyl)methyl)2((1ethyl5methoxyindol3yl)methylidene)3oxo1benzofuran6olate
929402733
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)CC)C2=O)CCC
CCC(NH+)(CCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)CC)C2=O)(O)
InChI=1SC27H32N2O4c151228(1362)172224(30)1192026(31)25(3327(20)22)14181629(73)2310819(324)1521(18)23h811141630H57121317H214H3b2514+
MFCD09797013
ZINC000020647119
ZINC20647119
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