Vitas-M small molecule compound

4-ethyl-5-{[2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK231215
SMILES CCn1c(COc2ccccc2C(C)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 C14H19N3OS MW 277.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3OS/c1-4-17-13(15-16-14(17)19)9-18-12-8-6-5-7-11(12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKey
WHXJBODLINNJSJ-UHFFFAOYSA-N
Synonyms
879612-68-7
4ETHYL3((2PROPAN2YLPHENOXY)METHYL)1H124TRIAZOLE5THIONE
4ethyl5((2(propan2yl)phenoxy)methyl)4H124triazole3thiol
4ETHYL5(2ISOPROPYLPHENOXYMETHYL)
4ETHYL5(2ISOPROPYLPHENOXYMETHYL)4H(124)TRIAZOLE3THIOL
879612687
CCN1C(=NNC1=S)COC2=CC=CC=C2C(C)C
InChI=1SC14H19N3OSc141713(151614(17)19)91812865711(12)10(2)3h5810H49H213H3(H1619)
MFCD08684893
ZINC000004736551
ZINC4736551

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Available files

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