Vitas-M small molecule compound

3-(benzylsulfanyl)-5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole

Catalog ID
STK847639
SMILES Clc1cccc(c1)c1nnc(n1C)SCc1ccccc1

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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 C16H14ClN3S MW 315.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3S/c1-20-15(13-8-5-9-14(17)10-13)18-19-16(20)21-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKey
UJSAWLIHBIIPHM-UHFFFAOYSA-N
Synonyms
710982-63-1
3(benzylsulfanyl)5(3chlorophenyl)4methyl4H124triazole
3(benzylthio)5(3chlorophenyl)4methyl4H124triazole
3BENZYLSULFANYL5(3CHLOROPHENYL)4METHYL124TRIAZOLE
5(3CHLOROPHENYL)4METHYL3(PHENYLMETHYLTHIO)124TRIAZOLE
710982631
CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)Cl
InChI=1SC16H14ClN3Sc12015(1385914(17)1013)181916(20)2111126324712h210H11H21H3
MFCD05996955
ZINC000000615002
ZINC00615002
ZINC615002

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Available files

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