Vitas-M small molecule compound

(2S,3R)-3-methyl-2-(2-(((Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)pentanoic acid

Catalog ID
STL531705
SMILES CCC([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(c(c1OC)OC)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 C26H29NO9 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO9/c1-6-14(2)22(26(30)31)27-21(28)13-35-16-8-9-17-19(12-16)36-20(23(17)29)11-15-7-10-18(32-3)25(34-5)24(15)33-4/h7-12,14,22H,6,13H2,1-5H3,(H,27,28)(H,30,31)/b20-11-/t14?,22-/m0/s1
InChIKey
KGBWCBANTUTKBI-XXXAPAEGSA-N
Synonyms
956918-29-9
(2~(S))3methyl2((2(((2~(Z))3oxo2((234trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)pentanoicacid
(2S3R)3methyl2(2(((Z)3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)pentanoicacid
16405861
956918299
CCC((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(c(c1OC)OC)OC)C2=O)C
InChI=1SC26H29NO9c1614(2)22(26(30)31)2721(28)133516891719(1216)3620(23(17)29)111571018(323)25(345)24(15)334h7121422H613H215H3(H2728)(H3031)b2011t14?22m0s1
ZINC000008876231
ZINC000012888816

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Available files

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