Vitas-M small molecule compound

3-(2-chlorophenyl)-5-[(4-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine

Catalog ID
STL342204
SMILES COc1ccc(cc1)CSc1nnc(n1N)c1ccccc1Cl

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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 C16H15ClN4OS MW 346.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4OS/c1-22-12-8-6-11(7-9-12)10-23-16-20-19-15(21(16)18)13-4-2-3-5-14(13)17/h2-9H,10,18H2,1H3
InChIKey
YTJCZXRJYBHCCO-UHFFFAOYSA-N
Synonyms
586992-87-2
3(2chlorophenyl)5((4methoxybenzyl)sulfanyl)4H124triazol4amine
3(2chlorophenyl)5((4methoxybenzyl)thio)4H124triazol4amine
3(2CHLOROPHENYL)5((4METHOXYPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
3(2CHLOROPHENYL)5((4METHOXYPHENYL)METHYLTHIO)124TRIAZOLE4YLAMINE
586992872
COC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3Cl
InChI=1SC16H15ClN4OSc122128611(7912)102316201915(21(16)18)13423514(13)17h29H1018H21H3
MFCD04033457
ZINC000000533356
ZINC00533356
ZINC533356

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Available files

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