Vitas-M small molecule compound

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

Catalog ID
STK610664
SMILES CCCCCCCc1nnc(n1Cc1ccccc1)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 C16H23N3S MW 289.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3S/c1-2-3-4-5-9-12-15-17-18-16(20)19(15)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,20)
InChIKey
UIKMVZVEODGACU-UHFFFAOYSA-N
Synonyms
124953-81-7
124953817
4BENZYL3HEPTYL1H124TRIAZOLE5THIONE
4BENZYL5HEPTYL24DIHYDRO3H124TRIAZOLE3THIONE
4BENZYL5HEPTYL4H(124)TRIAZOLE3THIOL
4benzyl5heptyl4H124triazole3thiol
CCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2
InChI=1SC16H23N3Sc1234591215171816(20)19(15)1314107681114h681011H2591213H21H3(H1820)
MFCD00883954
ZINC000001906593
ZINC1906593

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Available files

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