Vitas-M small molecule compound
N-({[(2Z)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-aspartic acid
Catalog ID
STL533754
SMILES COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](C(=O)O)CC(=O)O
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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 C23H21NO10 MW 471.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO10/c1-31-13-4-3-12(17(8-13)32-2)7-19-22(28)15-6-5-14(9-18(15)34-19)33-11-20(25)24-16(23(29)30)10-21(26)27/h3-9,16H,10-11H2,1-2H3,(H,24,25)(H,26,27)(H,29,30)/b19-7-/t16-/m0/s1InChIKey
BBJXCABWCUMADO-WXRNRBFESA-NSynonyms
956984-03-5(2~(S))2((2(((2~(Z))2((24dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)butanedioicacid
(SZ)2(2((2(24DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)SUCCINICACID
16404936
956984035
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)CC(=O)O
InChI=1SC23H21NO10c131134312(17(813)322)71922(28)156514(918(15)3419)331120(25)2416(23(29)30)1021(26)27h3916H1011H212H3(H2425)(H2627)(H2930)b197t16m0s1
N((((2Z)2(24dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lasparticacid
ZINC000008791107
ZINC8791107
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