Vitas-M small molecule compound
3-ethyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK947529
SMILES CCc1nnc([nH]1)SCc1ccccc1C
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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 C12H15N3S MW 233.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3S/c1-3-11-13-12(15-14-11)16-8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,14,15)InChIKey
RTFJSUMCGCABKG-UHFFFAOYSA-NSynonyms
3ethyl5((2methylbenzyl)sulfanyl)4H124triazole
3ETHYL5((2METHYLBENZYL)THIO)4H124TRIAZOLE
3ETHYL5((2METHYLPHENYL)METHYLTHIO)1H124TRIAZOLE
5ETHYL3((2METHYLPHENYL)METHYLSULFANYL)1H124TRIAZOLE
CCC1=NC(=NN1)SCC2=CC=CC=C2C
CCc1nnc((nH)1)SCc1ccccc1C
InChI=1SC12H15N3Sc13111312(151411)1681075469(10)2h47H38H212H3(H131415)
MFCD06623690
ZINC000005686704
ZINC05686704
ZINC5686704
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