Vitas-M small molecule compound
N-({[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-valine
Catalog ID
STL529870
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OCC(=O)N[C@@H](C(=O)O)C(C)C)cc(c1OC)OC
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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 C25H27NO9 MW 485.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO9/c1-13(2)22(25(29)30)26-21(27)12-34-15-6-7-16-17(11-15)35-18(23(16)28)8-14-9-19(31-3)24(33-5)20(10-14)32-4/h6-11,13,22H,12H2,1-5H3,(H,26,27)(H,29,30)/b18-8-/t22-/m1/s1InChIKey
RDMACVGSFTVFHD-WQKFDGFASA-NSynonyms
956823-38-4(2~(R))3methyl2((2(((2~(Z))3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)butanoicacid
(RZ)3methyl2(2((3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)butanoicacid
16405544
956823384
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OCC(=O)N(C@@H)(C(=O)O)C(C)C)cc(c1OC)OC
InChI=1SC25H27NO9c113(2)22(25(29)30)2621(27)123415671617(1115)3518(23(16)28)814919(313)24(335)20(1014)324h6111322H12H215H3(H2627)(H2930)b188t22m1s1
N((((2Z)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetyl)Dvaline
ZINC000008791792
ZINC8791792
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