Vitas-M small molecule compound

4-amino-5-(4-chloro-2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK695627
SMILES Clc1ccc(c(c1)F)c1nnc(n1N)S

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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 C8H6ClFN4S MW 244.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6ClFN4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15)
InChIKey
BWDZCQBJBQSNTE-UHFFFAOYSA-N
Synonyms
1152598-13-4
1152598134
4amino3(4chloro2fluorophenyl)1H124triazole5thione
4AMINO5(4CHLORO2FLUOROPHENYL)4H124TRIAZOLE3THIOL
C1=CC(=C(C=C1Cl)F)C2=NNC(=S)N2N
InChI=1SC8H6ClFN4Sc94125(6(10)34)712138(15)14(7)11h13H11H2(H1315)
MFCD10690341
ZINC000034972166
ZINC34972166

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Available files

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