Vitas-M small molecule compound
3,4-dichloro-N-{[4-ethyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK218922
SMILES CCn1c(CNC(=O)c2ccc(c(c2)Cl)Cl)nnc1SCC(=O)Nc1cccc(c1)F
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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 C20H18Cl2FN5O2S MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2FN5O2S/c1-2-28-17(10-24-19(30)12-6-7-15(21)16(22)8-12)26-27-20(28)31-11-18(29)25-14-5-3-4-13(23)9-14/h3-9H,2,10-11H2,1H3,(H,24,30)(H,25,29)InChIKey
RYQNBYWMSIJNDF-UHFFFAOYSA-NSynonyms
34DICHLORON((4ETHYL5((2((3FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((4ETHYL5(2(3FLUOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H18Cl2FN5O2Sc122817(102419(30)126715(21)16(22)812)262720(28)311118(29)251453413(23)914h39H21011H21H3(H2430)(H2529)
MFCD06000284
ZINC000001074711
ZINC01074711
ZINC1074711
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