Vitas-M small molecule compound
2-fluoro-N-[2-(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK245565
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)CCNC(=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 C21H21FN4O3S MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O3S/c1-26-19(11-12-23-20(28)16-5-3-4-6-17(16)22)24-25-21(26)30-13-18(27)14-7-9-15(29-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,23,28)InChIKey
LGCCAVOGTSETDJ-UHFFFAOYSA-NSynonyms
2FLUORON(2(5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5(2(4METHOXYPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CCNC(=O)C3=CC=CC=C3F
InChI=1SC21H21FN4O3Sc12619(11122320(28)16534617(16)22)242521(26)301318(27)147915(292)10814h310H1113H212H3(H2328)
MFCD08670171
ZINC000009327516
ZINC09327516
ZINC9327516
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