Vitas-M small molecule compound
4-({3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL308491
SMILES COc1cc(CNn2c(C)nnc2S)cc(c1OCc1ccc(cc1)F)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 C18H18BrFN4O2S MW 453.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrFN4O2S/c1-11-22-23-18(27)24(11)21-9-13-7-15(19)17(16(8-13)25-2)26-10-12-3-5-14(20)6-4-12/h3-8,21H,9-10H2,1-2H3,(H,23,27)InChIKey
PVZSXTFZEKKPIG-UHFFFAOYSA-NSynonyms
4((3BROMO4((4FLUOROBENZYL)OXY)5METHOXYBENZYL)AMINO)5METHYL4H124TRIAZOL3YLHYDROSULFIDE
4((3bromo4((4fluorobenzyl)oxy)5methoxybenzyl)amino)5methyl4H124triazole3thiol
4((3BROMO4((4FLUOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLAMINO)3METHYL1H124TRIAZOLE5THIONE
CC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC
InChI=1SC18H18BrFN4O2Sc111222318(27)24(11)21913715(19)17(16(813)252)2610123514(20)6412h3821H910H212H3(H2327)
MFCD03863836
ZINC000013108856
ZINC13108856
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