Vitas-M small molecule compound

3-[(4-methylbenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL341118
SMILES Cc1ccc(cc1)CSc1nnc(n1N)c1cccc(c1)C

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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 C17H18N4S MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4S/c1-12-6-8-14(9-7-12)11-22-17-20-19-16(21(17)18)15-5-3-4-13(2)10-15/h3-10H,11,18H2,1-2H3
InChIKey
GJQULUWKOSGPPD-UHFFFAOYSA-N
Synonyms
578747-29-2
3((4methylbenzyl)sulfanyl)5(3methylphenyl)4H124triazol4amine
3((4methylbenzyl)thio)5(mtolyl)4H124triazol4amine
3(3METHYLPHENYL)5((4METHYLPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
5(3METHYLPHENYL)3((4METHYLPHENYL)METHYLTHIO)124TRIAZOLE4YLAMINE
578747292
CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)C
InChI=1SC17H18N4Sc1126814(9712)112217201916(21(17)18)1553413(2)1015h310H1118H212H3
MFCD04024971
ZINC000000531179
ZINC00531179
ZINC531179

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Available files

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