Vitas-M small molecule compound
3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Catalog ID
STK244450
SMILES N#Cc1cccc(c1)CSc1nnc(n1Cc1ccccc1)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/c1-14-20-21-18(22(14)12-15-6-3-2-4-7-15)23-13-17-9-5-8-16(10-17)11-19/h2-10H,12-13H2,1H3InChIKey
ZHPRUERFCNLVFJ-UHFFFAOYSA-NSynonyms
3(((4benzyl5methyl4H124triazol3yl)sulfanyl)methyl)benzonitrile
3((4BENZYL5METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC(=C3)C#N
InChI=1SC18H16N4Sc114202118(22(14)12156324715)23131795816(1017)1119h210H1213H21H3
MFCD06621745
ZINC000005077747
ZINC05077747
ZINC5077747
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