Vitas-M small molecule compound
4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)octan-2-ol
Catalog ID
STK046177
SMILES CCCCC(c1nnc(n1c1ccccc1)S)CC(O)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 C16H23N3OS MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3OS/c1-3-4-8-13(11-12(2)20)15-17-18-16(21)19(15)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,3-4,8,11H2,1-2H3,(H,18,21)InChIKey
KLIVYBXUYVJJHP-UHFFFAOYSA-NSynonyms
3(2HYDROXYOCTAN4YL)4PHENYL1H124TRIAZOLE5THIONE
4(4PHENYL5SULFANYL124TRIAZOL3YL)OCTAN2OL
4(4PHENYL5SULFANYL4H124TRIAZOL3YL)OCTAN2OL
4(5MERCAPTO4PHENYL4H(124)TRIAZOL3YL)OCTAN2OL
4(5mercapto4phenyl4H124triazol3yl)octan2ol
5((2R4S)2HYDROXYOCTAN4YL)4PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
5(2HYDROXYOCTAN4YL)4PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
CCCCC(c1nnc(n1c1ccccc1)S)CC(O)C
CCCCC(CC(C)O)C1=NNC(=S)N1C2=CC=CC=C2
InChI=1SC16H23N3OSc134813(1112(2)20)15171816(21)19(15)1496571014h57910121320H34811H212H3(H1821)
MFCD02855521
STK046177
ZINC000002261967
ZINC000002261970
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