Vitas-M small molecule compound
1-(4-bromophenyl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Catalog ID
STK023710
SMILES CCCCc1nnc([nH]1)SCC(=O)c1ccc(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 C14H16BrN3OS MW 354.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16BrN3OS/c1-2-3-4-13-16-14(18-17-13)20-9-12(19)10-5-7-11(15)8-6-10/h5-8H,2-4,9H2,1H3,(H,16,17,18)InChIKey
ZVTUINNCBUMDAZ-UHFFFAOYSA-NSynonyms
462095-39-21(4BROMOPHENYL)2((5BUTYL1H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((5BUTYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
462095392
CCCCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)Br
CCCCc1nnc((nH)1)SCC(=O)c1ccc(cc1)Br
InChI=1SC14H16BrN3OSc1234131614(181713)20912(19)105711(15)8610h58H249H21H3(H161718)
MFCD03241291
STK023710
ZINC000018284070
ZINC18284070
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