Vitas-M small molecule compound
4-{[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STK147827
SMILES N#Cc1ccc(cc1)CSc1nnc(n1C)Cc1ccccc1
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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 C18H16N4S MW 320.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4S/c1-22-17(11-14-5-3-2-4-6-14)20-21-18(22)23-13-16-9-7-15(12-19)8-10-16/h2-10H,11,13H2,1H3InChIKey
OZIQCHKKGNRLQH-UHFFFAOYSA-NSynonyms
4(((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4((5BENZYL4METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3
InChI=1SC18H16N4Sc12217(11145324614)202118(22)2313169715(1219)81016h210H1113H21H3
MFCD04337090
ZINC000000479829
ZINC00479829
ZINC479829
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