Vitas-M small molecule compound
2-[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Catalog ID
STL559869
SMILES O=C(CC1(CCSCC1)c1oc(C)cc(=O)c1O)NCc1[nH]c2c(n1)cc(cc2)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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-13-3-4-15-16(9-13)25-18(24-15)12-23-19(27)11-22(5-7-30-8-6-22)21-20(28)17(26)10-14(2)29-21/h3-4,9-10,28H,5-8,11-12H2,1-2H3,(H,23,27)(H,24,25)InChIKey
MNXAZBQLBJUOHP-UHFFFAOYSA-NSynonyms
139030036
2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)N((5methyl1Hbenzimidazol2yl)methyl)acetamide
2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)N((5methyl1Hbenzo(d)imidazol2yl)methyl)acetamide
2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)N((6methyl1Hbenzimidazol2yl)methyl)acetamide
InChI=1SC22H25N3O4Sc113341516(913)2518(2415)122319(27)1122(57308622)2120(28)17(26)1014(2)2921h3491028H581112H212H3(H2327)(H2425)
MFCD32221692
O=C(CC1(CCSCC1)c1oc(C)cc(=O)c1O)NCc1(nH)c2c(n1)cc(cc2)C
ZINC001776111713
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