Vitas-M small molecule compound

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

Catalog ID
STK123125
SMILES CCn1c(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 C11H13N3S MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3S/c1-2-14-10(12-13-11(14)15)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15)
InChIKey
GMKFDKUHIRAVBS-UHFFFAOYSA-N
Synonyms
31405-22-8
31405228
3BENZYL4ETHYL1H124TRIAZOLE5THIONE
4ETHYL5BENZYL124TRIAZOLE3THIOL
4H124TRIAZOLE3THIOL4ETHYL5(PHENYLMETHYL)
5BENZYL4ETHYL124TRIAZOLE3THIOL
5BENZYL4ETHYL24DIHYDRO3H124TRIAZOLE3THIONE
5BENZYL4ETHYL4H(124)TRIAZOLE3THIOL
5BENZYL4ETHYL4H124TRIAZOLE3THIOL
CCN1C(=NNC1=S)CC2=CC=CC=C2
InChI=1SC11H13N3Sc121410(121311(14)15)89643579h37H28H21H3(H1315)
MFCD00837916
ZINC000000567049
ZINC00567049
ZINC567049

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Available files

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