Vitas-M small molecule compound
(2E)-7-(azepanium-1-ylmethyl)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK621301
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCCCC1)[O-])cn2CC
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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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-3-29-16-18(21-15-19(32-2)8-10-23(21)29)14-25-26(31)20-9-11-24(30)22(27(20)33-25)17-28-12-6-4-5-7-13-28/h8-11,14-16,30H,3-7,12-13,17H2,1-2H3/b25-14+InChIKey
RFWKINAAPLKRNK-AFUMVMLFSA-NSynonyms
929402-41-5(2E)7(azepan1ylmethyl)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy1benzofuran3one
(2E)7(azepanium1ylmethyl)2((1ethyl5methoxy1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929402415
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCCCC5
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCCCCC1)(O))cn2CC
InChI=1SC27H30N2O4c13291618(211519(322)81023(21)29)142526(31)2091124(30)22(27(20)3325)17281264571328h811141630H37121317H212H3b2514+
MFCD09794651
ZINC000020650742
ZINC20650742
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