Vitas-M small molecule compound

5-benzyl-4-propyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STL381294
SMILES CCCn1c(nnc1S)Cc1ccccc1

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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 C12H15N3S MW 233.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3S/c1-2-8-15-11(13-14-12(15)16)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)
InChIKey
CNJOWVZJYWWTND-UHFFFAOYSA-N
Synonyms
663181-82-6
3BENZYL4PROPYL1H124TRIAZOLE5THIONE
5BENZYL4PROPYL124TRIAZOLE3THIOL
5BENZYL4PROPYL4H(124)TRIAZOLE3THIOL
5benzyl4propyl4H124triazole3thiol
663181826
CCCN1C(=NNC1=S)CC2=CC=CC=C2
InChI=1SC12H15N3Sc1281511(131412(15)16)9106435710h37H289H21H3(H1416)
MFCD05134119
ZINC000005904326
ZINC5904326

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Available files

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