Vitas-M small molecule compound

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-phenylpropanoate

Catalog ID
STL549401
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1ccccc1

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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 C23H23NO6 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6/c1-28-20(26)13-17(15-5-3-2-4-6-15)21-18(25)8-7-16-22(27)19(30-23(16)21)14-24-9-11-29-12-10-24/h2-8,14,17,25H,9-13H2,1H3/b19-14-
InChIKey
UCXIZTTYIWLXNU-RGEXLXHISA-N
Synonyms

(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3phenylpropanoate
129895444
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1ccccc1
InChI=1SC23H23NO6c12820(26)1317(155324615)2118(25)871622(27)19(3023(16)21)142491129121024h28141725H913H21H3b1914
methyl3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)3phenylpropanoate
methyl3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)3phenylpropanoate
MFCD31756965
ZINC000524731342
ZINC001081803289

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Available files

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