Vitas-M small molecule compound
2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STK239964
SMILES CCc1nnc([nH]1)SCc1ccccc1C#N
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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 C12H12N4S MW 244.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4S/c1-2-11-14-12(16-15-11)17-8-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H,14,15,16)InChIKey
JGBDSGJRXANRRE-UHFFFAOYSA-NSynonyms
459214-94-92(((5ethyl4H124triazol3yl)sulfanyl)methyl)benzonitrile
2(((5ETHYL4H124TRIAZOL3YL)THIO)METHYL)BENZONITRILE
2((5ETHYL1H124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
459214949
CCC1=NC(=NN1)SCC2=CC=CC=C2C#N
CCc1nnc((nH)1)SCc1ccccc1C#N
InChI=1SC12H12N4Sc12111412(161511)1781064359(10)713h36H28H21H3(H141516)
MFCD08070846
ZINC000018227591
ZINC18227591
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