Vitas-M small molecule compound
4-chloro-N-{1-[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK126218
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)F)nnc1C(NC(=O)c1ccc(cc1)Cl)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 C21H21ClFN5O2S MW 461.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O2S/c1-3-28-19(13(2)24-20(30)14-4-6-15(22)7-5-14)26-27-21(28)31-12-18(29)25-17-10-8-16(23)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
TYIDSMLRDOQJRG-UHFFFAOYSA-NSynonyms
4CHLORON(1(4ETHYL5((2((4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(4ETHYL5((4FLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(4ETHYL5(2(4FLUOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C(C)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClFN5O2Sc132819(13(2)2420(30)144615(22)7514)262721(28)311218(29)251710816(23)91117h41113H312H212H3(H2430)(H2529)
MFCD04215185
ZINC000001115187
ZINC000001115189
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