Vitas-M small molecule compound

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

Catalog ID
STK508051
SMILES COC(=O)c1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccc(c1)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 C23H18BrN3O2S MW 480.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O2S/c1-29-22(28)18-9-5-7-16(13-18)15-30-23-26-25-21(17-8-6-10-19(24)14-17)27(23)20-11-3-2-4-12-20/h2-14H,15H2,1H3
InChIKey
JZGOKYMSBXRWPG-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br
InChI=1SC23H18BrN3O2Sc12922(28)1895716(1318)153023262521(17861019(24)1417)27(23)20113241220h214H15H21H3
methyl3(((5(3bromophenyl)4phenyl4H124triazol3yl)sulfanyl)methyl)benzoate
METHYL3((5(3BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
MFCD01141215
ZINC000020220906
ZINC20220906

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Available files

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