Vitas-M small molecule compound
4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Catalog ID
STK273509
SMILES O=C(c1ccc(cc1)Br)OCC#CCSc1nncn1C
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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 C14H12BrN3O2S MW 366.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O2S/c1-18-10-16-17-14(18)21-9-3-2-8-20-13(19)11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1H3InChIKey
KNHYGOSNECWINV-UHFFFAOYSA-NSynonyms
4((4methyl124triazol3yl)sulfanyl)but2ynyl4bromobenzoate
4((4methyl4H124triazol3yl)sulfanyl)but2yn1yl4bromobenzoate
CN1C=NN=C1SCC#CCOC(=O)C2=CC=C(C=C2)Br
InChI=1SC14H12BrN3O2Sc11810161714(18)2193282013(19)114612(15)7511h4710H89H21H3
MFCD04385688
ZINC000006480112
ZINC06480112
ZINC6480112
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