Vitas-M small molecule compound
(2R,3R)-3-hydroxy-2-(2-(((Z)-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)butanoic acid
Catalog ID
STL531266
SMILES COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](C(=O)O)C(O)C
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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 C22H21NO8 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO8/c1-12(24)20(22(27)28)23-19(25)11-30-15-6-7-16-17(10-15)31-18(21(16)26)9-13-4-3-5-14(8-13)29-2/h3-10,12,20,24H,11H2,1-2H3,(H,23,25)(H,27,28)/b18-9-/t12?,20-/m1/s1InChIKey
XQULUMHMUYSFDM-DJNRISCFSA-NSynonyms
956827-24-0(2~(R))3hydroxy2((2(((2~(Z))2((3methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)butanoicacid
(2S3S)3hydroxy2(2(((Z)2(3methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)butanoicacid
16404962
956827240
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)C(O)C
InChI=1SC22H21NO8c112(24)20(22(27)28)2319(25)113015671617(1015)3118(21(16)26)91343514(813)292h310122024H11H212H3(H2325)(H2728)b189t12?20m1s1
MFCD06768552
ZINC000008791135
ZINC000012885695
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