Vitas-M small molecule compound

1-({[(2E)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-proline

Catalog ID
STL531714
SMILES COc1cc(/C=C\2/Oc3c(C2=O)ccc(c3)OCC(=O)N2CCC[C@H]2C(=O)O)cc(c1OC)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 C25H25NO9 MW 483.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO9/c1-31-20-10-14(11-21(32-2)24(20)33-3)9-19-23(28)16-7-6-15(12-18(16)35-19)34-13-22(27)26-8-4-5-17(26)25(29)30/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,29,30)/b19-9+/t17-/m0/s1
InChIKey
ZLRLAEHNABHLQB-IFQVXRHPSA-N
Synonyms
956998-50-8
(2~(S))1(2(((2~(E))3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)pyrrolidine2carboxylicacid
(SE)1(2((3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetyl)pyrrolidine2carboxylicacid
1((((2E)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)Lproline
1(((3OXO2(345TRIMETHOXYBENZYLIDENE)23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)PROLINE
16406518
956998508
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OCC(=O)N2CCC(C@H)2C(=O)O)cc(c1OC)OC
InChI=1SC25H25NO9c131201014(1121(322)24(20)333)91923(28)167615(1218(16)3519)341322(27)2684517(26)25(29)30h6791217H45813H213H3(H2930)b199+t17m0s1
ZINC000008876743
ZINC8876743

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Available files

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