Vitas-M small molecule compound
2-chloro-N-{[4-ethyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK135694
SMILES CCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1CNC(=O)c1ccccc1Cl
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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 C23H26ClN5O2S MW 472.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5O2S/c1-5-29-19(12-25-22(31)17-8-6-7-9-18(17)24)27-28-23(29)32-13-20(30)26-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,25,31)(H,26,30)InChIKey
HFSGLSHEOSWQRZ-UHFFFAOYSA-NSynonyms
2CHLORON((4ETHYL5((2(MESITYLAMINO)2OXOETHYL)THIO)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((4ETHYL5((2OXO2((246TRIMETHYLPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((4ETHYL5(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC23H26ClN5O2Sc152919(122522(31)17867918(17)24)272823(29)321320(30)262115(3)1014(2)1116(21)4h611H51213H214H3(H2531)(H2630)
MFCD04151600
ZINC000000687455
ZINC00687455
ZINC687455
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