Vitas-M small molecule compound

5-ethyl-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444739
SMILES CCc1nnc(n1c1ccc(cc1)C(C)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/c1-4-12-14-15-13(17)16(12)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H,15,17)
InChIKey
UKAGIIHIYAYCIN-UHFFFAOYSA-N
Synonyms

3ethyl4(4propan2ylphenyl)1H124triazole5thione
5ETHYL4(4(METHYLETHYL)PHENYL)124TRIAZOLE3THIOL
5ethyl4(4(propan2yl)phenyl)4H124triazole3thiol
CCC1=NNC(=S)N1C2=CC=C(C=C2)C(C)C
InChI=1SC13H17N3Sc1412141513(17)16(12)117510(6811)9(2)3h59H4H213H3(H1517)
MFCD04057245
ZINC000006395527
ZINC06395527
ZINC6395527

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Available files

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