Vitas-M small molecule compound

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

Catalog ID
STK072178
SMILES O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)Br)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 C21H15BrFN5OS MW 484.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrFN5OS/c22-15-1-7-18(8-2-15)28-20(14-9-11-24-12-10-14)26-27-21(28)30-13-19(29)25-17-5-3-16(23)4-6-17/h1-12H,13H2,(H,25,29)
InChIKey
ROCSGYCCNJPLFI-UHFFFAOYSA-N
Synonyms
477330-26-0
2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)N(4FLUOROPHENYL)ACETAMIDE
2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)N(4FLUOROPHENYL)ACETAMIDE
2((4(4BROMOPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(4FLUOROPHENYL)ACETAMIDE
2(4(4BROMOPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))N(4FLUOROPHENYL)ACETAMIDE
477330260
C1=CC(=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)F
InChI=1SC21H15BrFN5OSc22151718(8215)2820(1491124121014)262721(28)301319(29)25175316(23)4617h112H13H2(H2529)
MFCD03224625
O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK072178
ZINC000001295949
ZINC01295949
ZINC1295949

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Available files

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