Vitas-M small molecule compound
2-chloro-N-{[5-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK142121
SMILES CCn1c(SCC(=O)Nc2cc(C)cc(c2)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 C22H24ClN5O2S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O2S/c1-4-28-19(12-24-21(30)17-7-5-6-8-18(17)23)26-27-22(28)31-13-20(29)25-16-10-14(2)9-15(3)11-16/h5-11H,4,12-13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
BGHJVYBWUAUDMD-UHFFFAOYSA-NSynonyms
2CHLORON((5((2((35DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((5(2(35DIMETHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC22H24ClN5O2Sc142819(122421(30)17756818(17)23)262722(28)311320(29)25161014(2)915(3)1116h511H41213H213H3(H2430)(H2529)
MFCD08675048
ZINC000009601363
ZINC09601363
ZINC9601363
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