Vitas-M small molecule compound
(2S)-4-(methylsulfinyl)-2-{[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoic acid
Catalog ID
STL537499
SMILES O=C(N[C@H](C(=O)O)CCS(=O)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
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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 C22H25NO7S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO7S/c1-11-13(3)29-18-10-19-16(9-15(11)18)12(2)14(22(27)30-19)5-6-20(24)23-17(21(25)26)7-8-31(4)28/h9-10,17H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t17-,31?/m0/s1InChIKey
VYOSUBZIMCLPMT-AUBGMPCYSA-NSynonyms
956705-22-9(2~(S))4methylsulfinyl2(3(235trimethyl7oxofuro(32g)chromen6yl)propanoylamino)butanoicacid
(2S)4(methylsulfinyl)2((3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)butanoicacid
(2S)4(METHYLSULFINYL)2(3(235TRIMETHYL7OXO7HFURO(32G)CHROMEN6YL)PROPANAMIDO)BUTANOICACID
(2S)4METHYLSULFINYL2(3(235TRIMETHYL7OXOFURO(32G)CHROMEN6YL)PROPANOYLAMINO)BUTANOICACID
1765046
956705229
InChI=1SC22H25NO7Sc11113(3)2918101916(915(11)18)12(2)14(22(27)3019)5620(24)2317(21(25)26)7831(4)28h91017H58H214H3(H2324)(H2526)t1731?m0s1
O=C(N(C@H)(C(=O)O)CCS(=O)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000012864778
ZINC000020412805
Check stock
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Check stock on Vitas-MAvailable files
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