Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Catalog ID
STK117415
SMILES CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1Cc1ccccc1
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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 C19H18BrN3OS MW 416.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3OS/c1-2-23-18(12-14-6-4-3-5-7-14)21-22-19(23)25-13-17(24)15-8-10-16(20)11-9-15/h3-11H,2,12-13H2,1H3InChIKey
JEYJHBAZCPLWIR-UHFFFAOYSA-NSynonyms
2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((5BENZYL4ETHYL4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3
InChI=1SC19H18BrN3OSc122318(12146435714)212219(23)251317(24)1581016(20)11915h311H21213H21H3
MFCD04128047
ZINC000001117300
ZINC01117300
ZINC1117300
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