Vitas-M small molecule compound

(2S,3R)-2-(2-(((E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-methylpentanoic acid

Catalog ID
STL532145
SMILES CCC([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)O/C(=C/c1cc(OC)ccc1OC)/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)13-33-17-6-8-18-20(12-17)34-21(24(18)28)11-15-10-16(31-3)7-9-19(15)32-4/h6-12,14,23H,5,13H2,1-4H3,(H,26,27)(H,29,30)/b21-11+/t14?,23-/m0/s1
InChIKey
RVHJJOUIUPKJBR-DWHDCILISA-N
Synonyms
956937-80-7
(2~(S))2((2(((2~(E))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(((E)2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylpentanoicacid
16406290
956937807
CCC((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O)C
InChI=1SC25H27NO8c1514(2)23(25(29)30)2622(27)133317681820(1217)3421(24(18)28)11151016(313)7919(15)324h6121423H513H214H3(H2627)(H2930)b2111+t14?23m0s1
ZINC000008876413
ZINC000012889369

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Available files

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