Vitas-M small molecule compound
methyl N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}leucinate
Catalog ID
STL559878
SMILES COC(=O)C(NC(=O)CC1(CCSCC1)c1oc(C)cc(=O)c1O)CC(C)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 C20H29NO6S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO6S/c1-12(2)9-14(19(25)26-4)21-16(23)11-20(5-7-28-8-6-20)18-17(24)15(22)10-13(3)27-18/h10,12,14,24H,5-9,11H2,1-4H3,(H,21,23)InChIKey
FAEFTHHURGVHOG-UHFFFAOYSA-NSynonyms
(S)methyl2(2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetamido)4methylpentanoate
139030043
COC(=O)(C@@H)(NC(=O)CC1(CCSCC1)c1oc(C)cc(=O)c1O)CC(C)C
InChI=1SC20H29NO6Sc112(2)914(19(25)264)2116(23)1120(57288620)1817(24)15(22)1013(3)2718h10121424H5911H214H3(H2123)
methyl2((2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)acetyl)amino)4methylpentanoate
methylN((4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetyl)leucinate
MFCD32221700
ZINC001776111554
ZINC001776111555
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