Vitas-M small molecule compound

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

Catalog ID
STK273618
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1ccccc1Br

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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 C23H18BrN3O2S MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O2S/c1-29-18-13-11-16(12-14-18)21(28)15-30-23-26-25-22(19-9-5-6-10-20(19)24)27(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKey
VZBZACNVSOVDIM-UHFFFAOYSA-N
Synonyms

2((5(2BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(2bromophenyl)4phenyl4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br
InChI=1SC23H18BrN3O2Sc12918131116(121418)21(28)153023262522(199561020(19)24)27(23)177324817h214H15H21H3
MFCD01432362
ZINC000006136568
ZINC06136568
ZINC6136568

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Available files

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