Vitas-M small molecule compound
2-{6-chloro-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Catalog ID
STL534529
SMILES CSCC[C@H](NC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCC(=C)C)Cl)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 C21H26ClNO5S MW 439.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClNO5S/c1-12(2)11-27-19-9-18-15(7-17(19)22)13(3)16(21(26)28-18)8-20(25)23-14(10-24)5-6-29-4/h7,9,14,24H,1,5-6,8,10-11H2,2-4H3,(H,23,25)/t14-/m0/s1InChIKey
JURDUJOCWVUXFE-AWEZNQCLSA-NSynonyms
956813-19-7(S)2(6chloro4methyl7((2methylallyl)oxy)2oxo2Hchromen3yl)N(1hydroxy4(methylthio)butan2yl)acetamide
16408275
2(6chloro4methyl7((2methylprop2en1yl)oxy)2oxo2Hchromen3yl)N((2S)1hydroxy4(methylsulfanyl)butan2yl)acetamide
2(6chloro4methyl7(2methylprop2enoxy)2oxochromen3yl)~(N)((2~(S))1hydroxy4methylsulfanylbutan2yl)acetamide
956813197
CSCC(C@H)(NC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCC(=C)C)Cl)CO
InChI=1SC21H26ClNO5Sc112(2)11271991815(717(19)22)13(3)16(21(26)2818)820(25)2314(1024)56294h791424H15681011H224H3(H2325)t14m0s1
ZINC000012895469
ZINC12895469
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