Vitas-M small molecule compound

propan-2-yl ({(2Z)-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
STK992949
SMILES COc1ccc2c(c1)c(/C=C/1\Oc3c(C1=O)ccc(c3C)OCC(=O)OC(C)C)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 C26H27NO6 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6/c1-6-27-13-17(20-12-18(30-5)7-9-21(20)27)11-23-25(29)19-8-10-22(16(4)26(19)33-23)31-14-24(28)32-15(2)3/h7-13,15H,6,14H2,1-5H3/b23-11-
InChIKey
OFXZGFNLUWJCKP-KSEXSDGBSA-N
Synonyms

(E)isopropyl2((2((1ethyl5methoxy1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl)oxy)acetate
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)OCC(=O)OC(C)C)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)OCC(=O)OC(C)C)cn2CC
InChI=1SC26H27NO6c16271317(201218(305)7921(20)27)112325(29)1981022(16(4)26(19)3323)311424(28)3215(2)3h71315H614H215H3b2311
METHYLETHYL2(2((1ETHYL5METHOXYINDOL3YL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YLOXY)ACETATE
MFCD18184758
propan2yl(((2Z)2((1ethyl5methoxy1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl)oxy)acetate
propan2yl2(((2Z)2((1ethyl5methoxyindol3yl)methylidene)7methyl3oxo1benzofuran6yl)oxy)acetate
ZINC000028182730
ZINC28182730

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.