Vitas-M small molecule compound

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

Catalog ID
STK233124
SMILES O=C(Nc1ccc(cc1Cl)Br)CSc1nnc(n1C)c1ccc(cc1)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 C18H16BrClN4OS MW 451.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClN4OS/c1-11-3-5-12(6-4-11)17-22-23-18(24(17)2)26-10-16(25)21-15-8-7-13(19)9-14(15)20/h3-9H,10H2,1-2H3,(H,21,25)
InChIKey
ULLNGMILZNYBEF-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)Cl
InChI=1SC18H16BrClN4OSc1113512(6411)17222318(24(17)2)261016(25)21158713(19)914(15)20h39H10H212H3(H2125)
MFCD06072696
N(4BROMO2CHLOROPHENYL)2((4METHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4bromo2chlorophenyl)2((4methyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000009427176
ZINC09427176
ZINC9427176

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Available files

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