Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-5-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-4H-1,2,4-triazole
Catalog ID
STL168447
SMILES COc1ccc(cc1/C=N/Nc1nnc([nH]1)SCc1cccc(c1)Br)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 C17H15Br2N5OS MW 497.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Br2N5OS/c1-25-15-6-5-14(19)8-12(15)9-20-22-16-21-17(24-23-16)26-10-11-3-2-4-13(18)7-11/h2-9H,10H2,1H3,(H2,21,22,23,24)/b20-9+InChIKey
YSQGTDLCZOTQHU-AWQFTUOYSA-NSynonyms
724735-50-63((3bromobenzyl)sulfanyl)5((2E)2(5bromo2methoxybenzylidene)hydrazinyl)4H124triazole
724735506
COC1=C(C=C(C=C1)Br)C=NNC2=NC(=NN2)SCC3=CC(=CC=C3)Br
COc1ccc(cc1C=NNc1nnc((nH)1)SCc1cccc(c1)Br)Br
InChI=1SC17H15Br2N5OSc125156514(19)812(15)92022162117(242316)26101132413(18)711h29H10H21H3(H221222324)b209+
MFCD03582013
N((E)(5bromo2methoxyphenyl)methylideneamino)3((3bromophenyl)methylsulfanyl)1H124triazol5amine
ZINC000020258396
ZINC35668264
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