Vitas-M small molecule compound
N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}propanamide
Catalog ID
STL533793
SMILES CSCC[C@H](NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=C)C)CO
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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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-14(2)13-27-17-5-6-18-15(3)19(22(26)28-20(18)11-17)7-8-21(25)23-16(12-24)9-10-29-4/h5-6,11,16,24H,1,7-10,12-13H2,2-4H3,(H,23,25)/t16-/m0/s1InChIKey
ZDXQETZCQOYJPZ-INIZCTEOSA-NSynonyms
956822-18-7(S)N(1hydroxy4(methylthio)butan2yl)3(4methyl7((2methylallyl)oxy)2oxo2Hchromen3yl)propanamide
~(N)((2~(S))1hydroxy4methylsulfanylbutan2yl)3(4methyl7(2methylprop2enoxy)2oxochromen3yl)propanamide
16407958
956822187
CSCC(C@H)(NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=C)C)CO
InChI=1SC22H29NO5Sc114(2)132717561815(3)19(22(26)2820(18)1117)7821(25)2316(1224)910294h56111624H17101213H224H3(H2325)t16m0s1
N((2S)1hydroxy4(methylsulfanyl)butan2yl)3(4methyl7((2methylprop2en1yl)oxy)2oxo2Hchromen3yl)propanamide
ZINC000012892838
ZINC12892838
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