Vitas-M small molecule compound
benzyl ({(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Catalog ID
STK621963
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C)OCC(=O)OCc1ccccc1)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 C30H27NO6 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO6/c1-4-31-16-21(24-15-22(34-3)10-12-25(24)31)14-27-29(33)23-11-13-26(19(2)30(23)37-27)35-18-28(32)36-17-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3/b27-14+InChIKey
KNMJJLHIMFPCNK-MZJWZYIUSA-NSynonyms
929477-49-6(E)benzyl2((2((1ethyl5methoxy1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl)oxy)acetate
929477496
benzyl(((2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl)oxy)acetate
benzyl2(((2E)2((1ethyl5methoxyindol3yl)methylidene)7methyl3oxo1benzofuran6yl)oxy)acetate
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)OCC(=O)OCC5=CC=CC=C5)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)OCC(=O)OCc1ccccc1)cn2CC
InChI=1SC30H27NO6c14311621(241522(343)101225(24)31)142729(33)23111326(19(2)30(23)3727)351828(32)3617208657920h516H41718H213H3b2714+
MFCD09796254
ZINC000009423863
ZINC09423863
ZINC9423863
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