Vitas-M small molecule compound

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

Catalog ID
STL445345
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)I)nnc1c1ccncc1

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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 C17H16IN5OS MW 465.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16IN5OS/c1-2-23-16(12-7-9-19-10-8-12)21-22-17(23)25-11-15(24)20-14-5-3-13(18)4-6-14/h3-10H,2,11H2,1H3,(H,20,24)
InChIKey
IKOBDDYDWQYFJP-UHFFFAOYSA-N
Synonyms

2((4ethyl5(pyridin4yl)4H124triazol3yl)sulfanyl)N(4iodophenyl)acetamide
2((4ETHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(4IODOPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)C3=CC=NC=C3
InChI=1SC17H16IN5OSc122316(12791910812)212217(23)251115(24)20145313(18)4614h310H211H21H3(H2024)
MFCD05842467
ZINC000003501750
ZINC03501750
ZINC3501750

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Available files

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