Vitas-M small molecule compound
(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618018
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCC(CC1)C)[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/c1-4-29-15-18(21-14-19(32-3)5-7-23(21)29)13-25-26(31)20-6-8-24(30)22(27(20)33-25)16-28-11-9-17(2)10-12-28/h5-8,13-15,17,30H,4,9-12,16H2,1-3H3/b25-13+InChIKey
CMBHOEYVCJCPAT-DHRITJCHSA-NSynonyms
929440-21-1(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
929440211
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCC(CC5)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCC(CC1)C)(O))cn2CC
InChI=1SC27H30N2O4c14291518(211419(323)5723(21)29)132526(31)206824(30)22(27(20)3325)162811917(2)101228h5813151730H491216H213H3b2513+
MFCD09795666
ZINC000020650793
ZINC20650793
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