Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole
Catalog ID
STK121131
SMILES Brc1cccc(c1)CSc1nnc(n1C)COc1ccccc1C
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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 C18H18BrN3OS MW 404.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3OS/c1-13-6-3-4-9-16(13)23-11-17-20-21-18(22(17)2)24-12-14-7-5-8-15(19)10-14/h3-10H,11-12H2,1-2H3InChIKey
VRMFVJHFHSDVNU-UHFFFAOYSA-NSynonyms
3((3BROMOBENZYL)SULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOLE
3((3BROMOPHENYL)METHYLSULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOLE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=CC=C3)Br
InChI=1SC18H18BrN3OSc113634916(13)231117202118(22(17)2)24121475815(19)1014h310H1112H212H3
MFCD04354074
ZINC000004698665
ZINC04698665
ZINC4698665
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