Vitas-M small molecule compound
3-benzyl-5-[(4-bromobenzyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole
Catalog ID
STK114364
SMILES Fc1ccc(cc1)n1c(nnc1Cc1ccccc1)SCc1ccc(cc1)Br
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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 C22H17BrFN3S MW 454.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrFN3S/c23-18-8-6-17(7-9-18)15-28-22-26-25-21(14-16-4-2-1-3-5-16)27(22)20-12-10-19(24)11-13-20/h1-13H,14-15H2InChIKey
COOXOPDIKCETMV-UHFFFAOYSA-NSynonyms
3BENZYL5((4BROMOBENZYL)SULFANYL)4(4FLUOROPHENYL)4H124TRIAZOLE
3BENZYL5((4BROMOPHENYL)METHYLSULFANYL)4(4FLUOROPHENYL)124TRIAZOLE
C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC=C(C=C4)Br
InChI=1SC22H17BrFN3Sc23188617(7918)152822262521(14164213516)27(22)20121019(24)111320h113H1415H2
MFCD03997288
ZINC000002837969
ZINC02837969
ZINC2837969
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