Vitas-M small molecule compound

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

Catalog ID
STL375423
SMILES O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1c1ccc(cc1)Cl)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/c1-11-3-8-16(15(19)9-11)21-17(25)10-26-18-23-22-12(2)24(18)14-6-4-13(20)5-7-14/h3-9H,10H2,1-2H3,(H,21,25)
InChIKey
DNGAXTXOFFXFHS-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C)Br
InChI=1SC18H16BrClN4OSc1113816(15(19)911)2117(25)102618232212(2)24(18)146413(20)5714h39H10H212H3(H2125)
MFCD04209808
N(2BROMO4METHYLPHENYL)2((4(4CHLOROPHENYL)5METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2bromo4methylphenyl)2((4(4chlorophenyl)5methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000001144792
ZINC01144792
ZINC1144792

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Available files

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