Vitas-M small molecule compound
(2S,3R)-2-(2-(((E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-methylpentanoic acid
Catalog ID
STL532156
SMILES CCC([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc(cc1)OC)/C2=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 C24H25NO7 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO7/c1-4-14(2)22(24(28)29)25-21(26)13-31-17-9-10-18-19(12-17)32-20(23(18)27)11-15-5-7-16(30-3)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,25,26)(H,28,29)/b20-11+/t14?,22-/m0/s1InChIKey
IQOBEVFBOJQNRA-CJALNMSJSA-NSynonyms
956980-80-6(2~(S))2((2(((2~(E))2((4methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(((E)2(4methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylpentanoicacid
16405778
956980806
CCC((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1)OC)C2=O)C
InChI=1SC24H25NO7c1414(2)22(24(28)29)2521(26)1331179101819(1217)3220(23(18)27)11155716(303)8615h5121422H413H213H3(H2526)(H2829)b2011+t14?22m0s1
ZINC000008876217
ZINC000012888681
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