Vitas-M small molecule compound
4-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL298840
SMILES N#Cc1ccc(cc1)CSc1nnc(n1C)c1ccc(cc1)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 C18H16N4S MW 320.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4S/c1-13-3-9-16(10-4-13)17-20-21-18(22(17)2)23-12-15-7-5-14(11-19)6-8-15/h3-10H,12H2,1-2H3InChIKey
XSIHBPQJADBUSG-UHFFFAOYSA-NSynonyms
849001-72-54(((4METHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4(((4methyl5(ptolyl)4H124triazol3yl)thio)methyl)benzonitrile
4((4METHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((4METHYL5(4METHYLPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
849001725
CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C#N
InChI=1SC18H16N4Sc1133916(10413)17202118(22(17)2)2312157514(1119)6815h310H12H212H3
ZINC02450120
ZINC2450120
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