Vitas-M small molecule compound

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

Catalog ID
STL380883
SMILES O=C(Nc1ccc(c(c1)Cl)Br)CSc1nnc(n1C)Cc1ccccc1

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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 C18H16BrClN4OS MW 451.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClN4OS/c1-24-16(9-12-5-3-2-4-6-12)22-23-18(24)26-11-17(25)21-13-7-8-14(19)15(20)10-13/h2-8,10H,9,11H2,1H3,(H,21,25)
InChIKey
GYRNKDNTXRQCHO-UHFFFAOYSA-N
Synonyms

2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)N(4BROMO3CHLOROPHENYL)ACETAMIDE
2((5benzyl4methyl4H124triazol3yl)sulfanyl)N(4bromo3chlorophenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CC3=CC=CC=C3
InChI=1SC18H16BrClN4OSc12416(9125324612)222318(24)261117(25)21137814(19)15(20)1013h2810H911H21H3(H2125)
MFCD05987661
ZINC000001113792
ZINC01113792
ZINC1113792

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Available files

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