Vitas-M small molecule compound
4-({[(4-ethyl-5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK267207
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1CC(=O)Nc1ccccc1F
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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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-2-27-17(11-18(28)24-16-6-4-3-5-15(16)22)25-26-21(27)32-12-19(29)23-14-9-7-13(8-10-14)20(30)31/h3-10H,2,11-12H2,1H3,(H,23,29)(H,24,28)(H,30,31)InChIKey
KYFDWPYTPWGIBO-UHFFFAOYSA-NSynonyms
4((((4ETHYL5(2((2FLUOROPHENYL)AMINO)2OXOETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((4ethyl5(2(2fluoroanilino)2oxoethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=CC=C3F
InChI=1SC21H20FN5O4Sc122717(1118(28)2416643515(16)22)252621(27)321219(29)23149713(81014)20(30)31h310H21112H21H3(H2329)(H2428)(H3031)
MFCD09267850
ZINC000009582985
ZINC9582985
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