Vitas-M small molecule compound
N~3~-[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoyl]-N-1,3-thiazol-2-yl-beta-alaninamide
Catalog ID
STL549462
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCC(=O)Nc1nccs1
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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 C22H23N3O7S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O7S/c1-12-9-16(27)20(30)21(32-12)14(13-3-4-15(26)17(10-13)31-2)11-19(29)23-6-5-18(28)25-22-24-7-8-33-22/h3-4,7-10,14,26,30H,5-6,11H2,1-2H3,(H,23,29)(H,24,25,28)InChIKey
BTLKFXXJVNOICX-UHFFFAOYSA-NSynonyms
129895404
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(3oxo3(thiazol2ylamino)propyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)(3oxo3(13thiazol2ylamino)propyl)propanamide
InChI=1SC22H23N3O7Sc112916(27)20(30)21(3212)14(133415(26)17(1013)312)1119(29)236518(28)252224783322h34710142630H5611H212H3(H2329)(H242528)
MFCD31757004
N~3~(3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanoyl)N13thiazol2ylbetaalaninamide
N3(3(4HYDROXY3METHOXYPHENYL)3(3HYDROXY6METHYL4OXO4HPYRAN2YL)PROPANOYL)N13THIAZOL2YLBETAALANINAMIDE
ZINC000524730265
ZINC000524730266
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