Vitas-M small molecule compound

4-(4-chlorophenyl)-3-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK111225
SMILES Clc1ccc(cc1)n1c(SCCc2ccccc2)nnc1C

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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 C17H16ClN3S MW 329.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3S/c1-13-19-20-17(21(13)16-9-7-15(18)8-10-16)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
JAQUWCGADJHGDD-UHFFFAOYSA-N
Synonyms

4(4CHLOROPHENYL)3METHYL5((2PHENYLETHYL)SULFANYL)4H124TRIAZOLE
4(4chlorophenyl)3methyl5(2phenylethylsulfanyl)124triazole
4(4CHLOROPHENYL)3METHYL5PHENETHYLSULFANYL124TRIAZOLE
CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCCC3=CC=CC=C3
InChI=1SC17H16ClN3Sc113192017(21(13)169715(18)81016)221211145324614h210H1112H21H3
MFCD04127696
ZINC000004675249
ZINC04675249
ZINC4675249

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Available files

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