Vitas-M small molecule compound

1-(4-bromophenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK119580
SMILES CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1c1cccc(c1)C

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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/c1-3-23-18(15-6-4-5-13(2)11-15)21-22-19(23)25-12-17(24)14-7-9-16(20)10-8-14/h4-11H,3,12H2,1-2H3
InChIKey
CUWBVNYHRUFMQQ-UHFFFAOYSA-N
Synonyms

1(4BROMOPHENYL)2((4ETHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BROMOPHENYL)2((4ETHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C
InChI=1SC19H18BrN3OSc132318(1564513(2)1115)212219(23)251217(24)147916(20)10814h411H312H212H3
MFCD04212606
ZINC000002840871
ZINC02840871
ZINC2840871

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.