Vitas-M small molecule compound
ethyl 3-{[({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]methyl}-4-methylbenzoate
Catalog ID
STK736269
SMILES CCOC(=O)c1ccc(c(c1)CNC(=O)CSc1nnc(n1C)c1ccc(cc1)F)C
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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 C22H23FN4O3S MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN4O3S/c1-4-30-21(29)16-6-5-14(2)17(11-16)12-24-19(28)13-31-22-26-25-20(27(22)3)15-7-9-18(23)10-8-15/h5-11H,4,12-13H2,1-3H3,(H,24,28)InChIKey
KRDNXKOJSIESRR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)F
ethyl3(((((5(4fluorophenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)methyl)4methylbenzoate
ETHYL3(((2((5(4FLUOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)METHYL)4METHYLBENZOATE
InChI=1SC22H23FN4O3Sc143021(29)166514(2)17(1116)122419(28)133122262520(27(22)3)157918(23)10815h511H41213H213H3(H2428)
MFCD07021972
ZINC000012410893
ZINC12410893
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