Vitas-M small molecule compound
(E)-N~3~-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-N-(4-methyl-1,3-thiazol-2(3H)-ylidene)-beta-alaninamide
Catalog ID
STL559271
SMILES O=C(CC1(CCSCC1)c1oc(C)cc(=O)c1O)NCCC(=O)/N=c\1/scc([nH]1)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 C20H25N3O5S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S2/c1-12-11-30-19(22-12)23-15(25)3-6-21-16(26)10-20(4-7-29-8-5-20)18-17(27)14(24)9-13(2)28-18/h9,11,27H,3-8,10H2,1-2H3,(H,21,26)(H,22,23,25)InChIKey
PQLZQHRQWJLAIH-UHFFFAOYSA-NSynonyms
(E)N~3~((4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetyl)N(4methyl13thiazol2(3H)ylidene)betaalaninamide
(E)N3((4(3HYDROXY6METHYL4OXO4HPYRAN2YL)TETRAHYDRO2HTHIOPYRAN4YL)ACETYL)N(4METHYL13THIAZOL2(3H)YLIDENE)BETAALANINAMIDE
139029689
3((2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)acetyl)amino)N(4methyl13thiazol2yl)propanamide
InChI=1SC20H25N3O5S2c112113019(2212)2315(25)362116(26)1020(47298520)1817(27)14(24)913(2)2818h91127H3810H212H3(H2126)(H222325)
MFCD32221129
ZINC001776111334
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