Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]ethanone
Catalog ID
STK140198
SMILES COc1ccc(cc1)c1nn(c(n1)SCc1ccccc1)C(=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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-13(22)21-18(24-12-14-6-4-3-5-7-14)19-17(20-21)15-8-10-16(23-2)11-9-15/h3-11H,12H2,1-2H3InChIKey
BAIWMVMDINVEJJ-UHFFFAOYSA-NSynonyms
1(5(BENZYLSULFANYL)3(4METHOXYPHENYL)1H124TRIAZOL1YL)ETHANONE
1(5BENZYLSULFANYL3(4METHOXYPHENYL)124TRIAZOL1YL)ETHANONE
CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3
InChI=1SC18H17N3O2Sc113(22)2118(2412146435714)1917(2021)1581016(232)11915h311H12H212H3
MFCD04322552
ZINC000004682017
ZINC04682017
ZINC4682017
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