Vitas-M small molecule compound

4-(2-chlorophenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK846396
SMILES Clc1ccccc1n1c(=S)[nH]nc1c1cnccn1

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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 C12H8ClN5S MW 289.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8ClN5S/c13-8-3-1-2-4-10(8)18-11(16-17-12(18)19)9-7-14-5-6-15-9/h1-7H,(H,17,19)
InChIKey
KIBTXAFJLFRSFN-UHFFFAOYSA-N
Synonyms
573975-48-1
4(2CHLOROPHENYL)3PYRAZIN2YL1H124TRIAZOLE5THIONE
4(2chlorophenyl)5(pyrazin2yl)24dihydro3H124triazole3thione
573975481
C1=CC=C(C(=C1)N2C(=NNC2=S)C3=NC=CN=C3)Cl
Clc1ccccc1n1c(=S)(nH)nc1c1cnccn1
InChI=1SC12H8ClN5Sc138312410(8)1811(161712(18)19)971456159h17H(H1719)
MFCD04078971
ZINC000001266891
ZINC1266891

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Available files

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