Vitas-M small molecule compound

5-(4-fluorophenyl)-4-(quinolin-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK618076
SMILES Fc1ccc(cc1)c1n[nH]c(=S)n1c1cccc2c1cccn2

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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 C17H11FN4S MW 322.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11FN4S/c18-12-8-6-11(7-9-12)16-20-21-17(23)22(16)15-5-1-4-14-13(15)3-2-10-19-14/h1-10H,(H,21,23)
InChIKey
DOOJAYIWVLVMQD-UHFFFAOYSA-N
Synonyms
929967-30-6
3(4fluorophenyl)4quinolin5yl1H124triazole5thione
5(4fluorophenyl)4(quinolin5yl)24dihydro3H124triazole3thione
929967306
C1=CC2=C(C=CC=N2)C(=C1)N3C(=NNC3=S)C4=CC=C(C=C4)F
Fc1ccc(cc1)c1n(nH)c(=S)n1c1cccc2c1cccn2
InChI=1SC17H11FN4Sc18128611(7912)16202117(23)22(16)155141413(15)32101914h110H(H2123)
MFCD09796023
ZINC000008993606
ZINC8993606

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Available files

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