Vitas-M small molecule compound

4-cyclopropyl-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK946056
SMILES Sc1nnc(n1C1CC1)c1ccccc1

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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 C11H11N3S MW 217.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3S/c15-11-13-12-10(14(11)9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)
InChIKey
AZGAXEFNCACYSU-UHFFFAOYSA-N
Synonyms
942876-38-2
4cyclopropyl3phenyl1H124triazole5thione
4cyclopropyl5phenyl4H124triazole3thiol
942876382
C1CC1N2C(=NNC2=S)C3=CC=CC=C3
InChI=1SC11H11N3Sc1511131210(14(11)9679)8421358h159H67H2(H1315)
MFCD09983424
ZINC000011692611
ZINC11692611

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Available files

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