Vitas-M small molecule compound
2-[(4-ethyl-5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-methylphenyl)acetamide
Catalog ID
STL365689
SMILES CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1CN(S(=O)(=O)C)c1ccc(cc1)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 C21H23F2N5O3S2 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N5O3S2/c1-4-27-19(12-28(33(3,30)31)16-8-6-15(22)7-9-16)25-26-21(27)32-13-20(29)24-18-11-14(2)5-10-17(18)23/h5-11H,4,12-13H2,1-3H3,(H,24,29)InChIKey
LEQLQFJTHUIQDF-UHFFFAOYSA-NSynonyms
2((4ethyl5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4H124triazol3yl)sulfanyl)N(2fluoro5methylphenyl)acetamide
2((4ethyl5((4fluoroNmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)N(2fluoro5methylphenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)F)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC21H23F2N5O3S2c142719(1228(33(330)31)168615(22)7916)252621(27)321320(29)24181114(2)51017(18)23h511H41213H213H3(H2429)
MFCD27593916
ZINC000020416331
ZINC20416331
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