Vitas-M small molecule compound
(2S,3S)-2-(2-(((Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-hydroxybutanoic acid
Catalog ID
STL530560
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](C(=O)O)C(O)C)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 C23H23NO9 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO9/c1-12(25)21(23(28)29)24-20(26)11-32-15-4-6-16-18(10-15)33-19(22(16)27)9-13-8-14(30-2)5-7-17(13)31-3/h4-10,12,21,25H,11H2,1-3H3,(H,24,26)(H,28,29)/b19-9-/t12?,21-/m0/s1InChIKey
VDKXCDZBUZPRRR-UWHXCEOUSA-NSynonyms
956919-63-4(2~(S))2((2(((2~(Z))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3hydroxybutanoicacid
(2S3S)2(2(((Z)2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3hydroxybutanoicacid
16404370
956919634
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)C(O)C)OC
InChI=1SC23H23NO9c112(25)21(23(28)29)2420(26)113215461618(1015)3319(22(16)27)913814(302)5717(13)313h410122125H11H213H3(H2426)(H2829)b199t12?21m0s1
MFCD06766895
ZINC000008790520
ZINC000012883631
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