Vitas-M small molecule compound
3-({[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK665175
SMILES N#Cc1cccc(c1)CSc1nnc(n1C)c1ccc(cc1Cl)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 C18H15ClN4S MW 354.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4S/c1-12-6-7-15(16(19)8-12)17-21-22-18(23(17)2)24-11-14-5-3-4-13(9-14)10-20/h3-9H,11H2,1-2H3InChIKey
AVAWXVNILLVFTH-UHFFFAOYSA-NSynonyms
3(((5(2chloro4methylphenyl)4methyl4H124triazol3yl)sulfanyl)methyl)benzonitrile
3((5(2CHLORO4METHYLPHENYL)4METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC(=C3)C#N)Cl
InChI=1SC18H15ClN4Sc1126715(16(19)812)17212218(23(17)2)24111453413(914)1020h39H11H212H3
MFCD08142298
ZINC000006668238
ZINC06668238
ZINC6668238
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