Vitas-M small molecule compound

2-[(5-benzyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide

Catalog ID
STL379473
SMILES CCCn1c(SCC(=O)Nc2ccc(cc2Br)C)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 C21H23BrN4OS MW 459.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4OS/c1-3-11-26-19(13-16-7-5-4-6-8-16)24-25-21(26)28-14-20(27)23-18-10-9-15(2)12-17(18)22/h4-10,12H,3,11,13-14H2,1-2H3,(H,23,27)
InChIKey
SCCOBXCDXSGKRN-UHFFFAOYSA-N
Synonyms

2((5BENZYL4PROPYL124TRIAZOL3YL)SULFANYL)N(2BROMO4METHYLPHENYL)ACETAMIDE
2((5benzyl4propyl4H124triazol3yl)sulfanyl)N(2bromo4methylphenyl)acetamide
CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)Br)CC3=CC=CC=C3
InChI=1SC21H23BrN4OSc13112619(13167546816)242521(26)281420(27)231810915(2)1217(18)22h41012H3111314H212H3(H2327)
MFCD03862158
ZINC000000664247
ZINC00664247
ZINC664247

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Available files

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