Vitas-M small molecule compound

1-({[(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-proline

Catalog ID
STL530447
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1CCC[C@H]1C(=O)O)OC

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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 C24H23NO8 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO8/c1-30-15-6-8-19(31-2)14(10-15)11-21-23(27)17-7-5-16(12-20(17)33-21)32-13-22(26)25-9-3-4-18(25)24(28)29/h5-8,10-12,18H,3-4,9,13H2,1-2H3,(H,28,29)/b21-11-/t18-/m0/s1
InChIKey
PCZLXFNXBKGHNN-DUQUIBLKSA-N
Synonyms
956961-46-9
(2~(S))1(2(((2~(Z))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)pyrrolidine2carboxylicacid
(SZ)1(2((2(25DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETYL)PYRROLIDINE2CARBOXYLICACID
1((((2Z)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lproline
16405142
956961469
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N1CCC(C@H)1C(=O)O)OC
InChI=1SC24H23NO8c130156819(312)14(1015)112123(27)177516(1220(17)3321)321322(26)2593418(25)24(28)29h58101218H34913H212H3(H2829)b2111t18m0s1
ZINC000012886503

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Available files

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