Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methylbenzamide
Catalog ID
STK140709
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)F)nnc1CNC(=O)c1ccccc1C
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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 C21H22FN5O2S MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O2S/c1-3-27-18(12-23-20(29)17-7-5-4-6-14(17)2)25-26-21(27)30-13-19(28)24-16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
XMRCCKJWXIPOPZ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3C
InChI=1SC21H22FN5O2Sc132718(122320(29)17754614(17)2)252621(27)301319(28)241610815(22)91116h411H31213H212H3(H2329)(H2428)
MFCD03698829
N((4ETHYL5((2((4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)2METHYLBENZAMIDE
N((4ETHYL5((2(4FLUOROANILINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)2METHYLBENZAMIDE
N((4ETHYL5(2(4FLUOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)2METHYLBENZAMIDE
ZINC000000686487
ZINC00686487
ZINC686487
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