Vitas-M small molecule compound

4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK415374
SMILES CCc1ccc(cc1)n1c(C)nnc1S

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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/c1-3-9-4-6-10(7-5-9)14-8(2)12-13-11(14)15/h4-7H,3H2,1-2H3,(H,13,15)
InChIKey
UTRPRTZAONVXSZ-UHFFFAOYSA-N
Synonyms
663181-79-1
4(4ETHYLPHENYL)3METHYL1H124TRIAZOLE5THIONE
4(4ETHYLPHENYL)5METHYL124TRIAZOLE3THIOL
4(4ETHYLPHENYL)5METHYL4H(124)TRIAZOLE3THIOL
4(4ethylphenyl)5methyl4H124triazole3thiol
663181791
CCC1=CC=C(C=C1)N2C(=NNC2=S)C
InChI=1SC11H13N3Sc1394610(759)148(2)121311(14)15h47H3H212H3(H1315)
MFCD04057189
ZINC000005823282
ZINC05823282
ZINC5823282

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Available files

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