Vitas-M small molecule compound

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

Catalog ID
STK553919
SMILES O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

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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 C21H15BrClN5OS MW 500.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrClN5OS/c22-15-2-1-3-17(12-15)25-19(29)13-30-21-27-26-20(14-8-10-24-11-9-14)28(21)18-6-4-16(23)5-7-18/h1-12H,13H2,(H,25,29)
InChIKey
COXFWQYSQLUJOF-UHFFFAOYSA-N
Synonyms
476483-91-7
476483917
C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI=1SC21H15BrClN5OSc221521317(1215)2519(29)133021272620(148102411914)28(21)186416(23)5718h112H13H2(H2529)
MFCD03473399
N(3bromophenyl)2((4(4chlorophenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(3BROMOPHENYL)2((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)ACETAMIDE
N(3BROMOPHENYL)2((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3BROMOPHENYL)2(4(4CHLOROPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001476574
ZINC01476574
ZINC1476574

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Available files

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