Vitas-M small molecule compound
N-{[5-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK123453
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)Cl)nnc1CNC(=O)c1ccccc1F
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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 C21H19ClFN5O2S MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN5O2S/c1-2-10-28-18(12-24-20(30)16-8-3-4-9-17(16)23)26-27-21(28)31-13-19(29)25-15-7-5-6-14(22)11-15/h2-9,11H,1,10,12-13H2,(H,24,30)(H,25,29)InChIKey
AGQBYRKEQVURKO-UHFFFAOYSA-NSynonyms
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H19ClFN5O2Sc12102818(122420(30)16834917(16)23)262721(28)311319(29)251575614(22)1115h2911H1101213H2(H2430)(H2529)
MFCD04339846
N((4ALLYL5((2(3CHLOROANILINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5((2((3CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(3CHLOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000000633816
ZINC00633816
ZINC633816
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