Vitas-M small molecule compound
(2S,3R)-2-(2-(((E)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-methylpentanoic acid
Catalog ID
STL532094
SMILES CCC([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc(cc1OC)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 C25H27NO8 MW 469.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO8/c1-5-14(2)23(25(29)30)26-22(27)13-33-17-8-9-18-20(12-17)34-21(24(18)28)10-15-6-7-16(31-3)11-19(15)32-4/h6-12,14,23H,5,13H2,1-4H3,(H,26,27)(H,29,30)/b21-10+/t14?,23-/m0/s1InChIKey
MCSGEOJHJVWQGI-NVGBNBHQSA-NSynonyms
956937-66-9(2~(S))2((2(((2~(E))2((24dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(((E)2(24dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylpentanoicacid
16406243
956937669
CCC((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1OC)OC)C2=O)C
InChI=1SC25H27NO8c1514(2)23(25(29)30)2622(27)133317891820(1217)3421(24(18)28)10156716(313)1119(15)324h6121423H513H214H3(H2627)(H2930)b2110+t14?23m0s1
ZINC000009043475
ZINC000012889346
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