Vitas-M small molecule compound

1-(4-methylpiperidin-1-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Catalog ID
STK869038
SMILES CC1CCN(CC1)C(=O)CSc1ncn(n1)c1ccccc1

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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 C16H20N4OS MW 316.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4OS/c1-13-7-9-19(10-8-13)15(21)11-22-16-17-12-20(18-16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKey
BQWOHGHXNNYNGU-UHFFFAOYSA-N
Synonyms
875006-65-8
1(4METHYLPIPERIDIN1YL)2((1PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4methylpiperidin1yl)2((1phenyl1H124triazol3yl)sulfanyl)ethanone
1(4methylpiperidin1yl)2((1phenyl1H124triazol3yl)thio)ethanone
875006658
CC1CCN(CC1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3
InChI=1SC16H20N4OSc1137919(10813)15(21)112216171220(1816)145324614h261213H711H21H3
MFCD07178754
ZINC000005064573
ZINC05064573
ZINC5064573

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Available files

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