Vitas-M small molecule compound
N-({[(2E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-phenylalanine
Catalog ID
STL532414
SMILES COc1ccc(c(c1)/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](C(=O)O)Cc1ccccc1)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 C28H25NO8 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO8/c1-34-19-9-11-23(35-2)18(13-19)14-25-27(31)21-10-8-20(15-24(21)37-25)36-16-26(30)29-22(28(32)33)12-17-6-4-3-5-7-17/h3-11,13-15,22H,12,16H2,1-2H3,(H,29,30)(H,32,33)/b25-14+/t22-/m0/s1InChIKey
PEHHTHZNFQZXRP-PWYGXMRTSA-NSynonyms
956991-57-4(2~(S))2((2(((2~(E))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3phenylpropanoicacid
(SE)2(2((2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3phenylpropanoicacid
16405548
956991574
COc1ccc(c(c1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)Cc1ccccc1)OC
InChI=1SC28H25NO8c1341991123(352)18(1319)142527(31)2110820(1524(21)3725)361626(30)2922(28(32)33)12176435717h311131522H1216H212H3(H2930)(H3233)b2514+t22m0s1
N((((2E)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lphenylalanine
ZINC000008791796
ZINC8791796
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