Vitas-M small molecule compound

N~2~-({[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-asparagine

Catalog ID
STL533295
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OCC(=O)N[C@@H](C(=O)O)CC(=O)N)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 C24H24N2O10 MW 500.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O10/c1-32-18-7-12(8-19(33-2)23(18)34-3)6-17-22(29)14-5-4-13(9-16(14)36-17)35-11-21(28)26-15(24(30)31)10-20(25)27/h4-9,15H,10-11H2,1-3H3,(H2,25,27)(H,26,28)(H,30,31)/b17-6-/t15-/m1/s1
InChIKey
ZAECPEXIJGZUAX-OWFUZHBCSA-N
Synonyms
956924-16-6
(2~(R))4amino4oxo2((2(((2~(Z))3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)butanoicacid
(RZ)4AMINO4OXO2(2((3OXO2(345TRIMETHOXYBENZYLIDENE)23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)BUTANOICACID
16406519
956924166
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OCC(=O)N(C@@H)(C(=O)O)CC(=O)N)cc(c1OC)OC
InChI=1SC24H24N2O10c13218712(819(332)23(18)343)61722(29)145413(916(14)3617)351121(28)2615(24(30)31)1020(25)27h4915H1011H213H3(H22527)(H2628)(H3031)b176t15m1s1
N~2~((((2Z)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)Dasparagine
N2((((2Z)3OXO2(345TRIMETHOXYBENZYLIDENE)23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)DASPARAGINE
ZINC000008876746
ZINC8876746

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Available files

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