Vitas-M small molecule compound
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetamide
Catalog ID
STL559174
SMILES Cc1cc(=O)c(c(o1)C1(CCSCC1)CC(=O)NC(c1nc2c([nH]1)cccc2)c1ccccc1)O
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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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-17-15-21(31)24(33)25(34-17)27(11-13-35-14-12-27)16-22(32)30-23(18-7-3-2-4-8-18)26-28-19-9-5-6-10-20(19)29-26/h2-10,15,23,33H,11-14,16H2,1H3,(H,28,29)(H,30,32)InChIKey
KDTDTEATOUUIIB-UHFFFAOYSA-NSynonyms
(S)N((1Hbenzo(d)imidazol2yl)(phenyl)methyl)2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetamide
139029632
Cc1cc(=O)c(c(o1)C1(CCSCC1)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)c1ccccc1)O
InChI=1SC27H27N3O4Sc1171521(31)24(33)25(3417)27(111335141227)1622(32)3023(187324818)2628199561020(19)2926h210152333H111416H21H3(H2829)(H3032)
MFCD32221039
N(1Hbenzimidazol2yl(phenyl)methyl)2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetamide
N(1Hbenzimidazol2yl(phenyl)methyl)2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)acetamide
ZINC001776111261
ZINC001776111262
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