Vitas-M small molecule compound

4-(1-phenylethyl)-5-propyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444291
SMILES CCCc1nnc(n1C(c1ccccc1)C)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 C13H17N3S MW 247.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S/c1-3-7-12-14-15-13(17)16(12)10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,15,17)
InChIKey
DCTCVDYHFCCCKC-UHFFFAOYSA-N
Synonyms

4(1phenylethyl)3propyl1H124triazole5thione
4(1phenylethyl)5propyl4H124triazole3thiol
4(PHENYLETHYL)5PROPYL124TRIAZOLE3THIOL
CCCC1=NNC(=S)N1C(C)C2=CC=CC=C2
InChI=1SC13H17N3Sc13712141513(17)16(12)10(2)118546911h46810H37H212H3(H1517)
MFCD04055473
ZINC000006400102
ZINC000006400106

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Available files

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