Vitas-M small molecule compound
4-{5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
Catalog ID
STK122061
SMILES Nc1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1)F
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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 C16H15FN4S MW 314.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15FN4S/c1-21-15(12-4-8-14(18)9-5-12)19-20-16(21)22-10-11-2-6-13(17)7-3-11/h2-9H,10,18H2,1H3InChIKey
JTRYUSWXLBYFLC-UHFFFAOYSA-NSynonyms
4(5((4FLUOROBENZYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ANILINE
4(5((4FLUOROPHENYL)METHYLSULFANYL)4METHYL124TRIAZOL3YL)ANILINE
CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC=C(C=C3)N
InChI=1SC16H15FN4Sc12115(124814(18)9512)192016(21)2210112613(17)7311h29H1018H21H3
MFCD04327323
ZINC000004676313
ZINC04676313
ZINC4676313
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