Vitas-M small molecule compound
(2R,3R)-2-(2-(((Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-hydroxybutanoic acid
Catalog ID
STL531864
SMILES O=C(N[C@@H](C(=O)O)C(O)C)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O
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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 C22H19NO9 MW 441.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO9/c1-11(24)20(22(27)28)23-19(25)9-29-13-3-4-14-16(8-13)32-18(21(14)26)7-12-2-5-15-17(6-12)31-10-30-15/h2-8,11,20,24H,9-10H2,1H3,(H,23,25)(H,27,28)/b18-7-/t11?,20-/m1/s1InChIKey
VCHRWBRFSAXBJT-KLAUCIFASA-NSynonyms
956947-65-2(2~(R))2((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3hydroxybutanoicacid
(2R3R)2(2(((Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3hydroxybutanoicacid
16404249
956947652
InChI=1SC22H19NO9c111(24)20(22(27)28)2319(25)92913341416(813)3218(21(14)26)712251517(612)31103015h28112024H910H21H3(H2325)(H2728)b187t11?20m1s1
MFCD06766582
O=C(N(C@@H)(C(=O)O)C(O)C)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000008790425
ZINC000012883352
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