Vitas-M small molecule compound
(2S)-[({[(2E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino](phenyl)ethanoic acid
Catalog ID
STL533661
SMILES COc1ccc(c(c1)/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](c1ccccc1)C(=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 C27H23NO8 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO8/c1-33-18-9-11-21(34-2)17(12-18)13-23-26(30)20-10-8-19(14-22(20)36-23)35-15-24(29)28-25(27(31)32)16-6-4-3-5-7-16/h3-14,25H,15H2,1-2H3,(H,28,29)(H,31,32)/b23-13+/t25-/m0/s1InChIKey
UZPDFYPJJPCRAZ-ITIZVALFSA-NSynonyms
957044-48-3(2~(S))2((2(((2~(E))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)2phenylaceticacid
(2S)(((((2E)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)amino)(phenyl)ethanoicacid
(RZ)2(2((2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)2phenylaceticacid
16405986
957044483
COc1ccc(c(c1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(c1ccccc1)C(=O)O)OC
InChI=1SC27H23NO8c1331891121(342)17(1218)132326(30)2010819(1422(20)3623)351524(29)2825(27(31)32)166435716h31425H15H212H3(H2829)(H3132)b2313+t25m0s1
ZINC000012889003
ZINC12889003
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