Vitas-M small molecule compound

3-[(3-chlorobenzyl)sulfanyl]-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL340302
SMILES Clc1cccc(c1)CSc1nnc(n1N)c1ccccn1

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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 C14H12ClN5S MW 317.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN5S/c15-11-5-3-4-10(8-11)9-21-14-19-18-13(20(14)16)12-6-1-2-7-17-12/h1-8H,9,16H2
InChIKey
AUVAYNIAJJUPNJ-UHFFFAOYSA-N
Synonyms
577761-28-5
3((3chlorobenzyl)sulfanyl)5(pyridin2yl)4H124triazol4amine
3((3chlorobenzyl)thio)5(pyridin2yl)4H124triazol4amine
3((3CHLOROPHENYL)METHYLSULFANYL)5PYRIDIN2YL124TRIAZOL4AMINE
3((3CHLOROPHENYL)METHYLTHIO)5(2PYRIDYL)124TRIAZOLE4YLAMINE
577761285
C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Cl
InChI=1SC14H12ClN5Sc151153410(811)92114191813(20(14)16)1261271712h18H916H2
MFCD04018480
ZINC000000529607
ZINC00529607
ZINC529607

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Available files

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