Vitas-M small molecule compound
(2S,3S)-3-hydroxy-2-(2-(((Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)butanoic acid
Catalog ID
STL534881
SMILES COc1cc(OC)c(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 C24H25NO10 MW 487.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO10/c1-12(26)22(24(29)30)25-21(27)11-34-14-5-6-15-17(9-14)35-20(23(15)28)8-13-7-18(32-3)19(33-4)10-16(13)31-2/h5-10,12,22,26H,11H2,1-4H3,(H,25,27)(H,29,30)/b20-8-/t12?,22-/m0/s1InChIKey
JWJGXDRTJUURRC-ZGCLOFOPSA-NSynonyms
956826-73-6(2~(S))3hydroxy2((2(((2~(Z))3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6yl)oxy)acetyl)amino)butanoicacid
(2S3S)3hydroxy2(2(((Z)3oxo2(245trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetamido)butanoicacid
16404652
956826736
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)C(O)C)OC
InChI=1SC24H25NO10c112(26)22(24(29)30)2521(27)113414561517(914)3520(23(15)28)813718(323)19(334)1016(13)312h510122226H11H214H3(H2527)(H2930)b208t12?22m0s1
MFCD06767731
ZINC000008790846
ZINC000012884651
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