Vitas-M small molecule compound
N-(2-{5-[(2-{[4-(acetylamino)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
Catalog ID
STK246015
SMILES O=C(Nc1ccc(cc1)NC(=O)C)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 C22H23FN6O3S MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN6O3S/c1-14(30)25-15-7-9-16(10-8-15)26-20(31)13-33-22-28-27-19(29(22)2)11-12-24-21(32)17-5-3-4-6-18(17)23/h3-10H,11-13H2,1-2H3,(H,24,32)(H,25,30)(H,26,31)InChIKey
DCCTXFRIOXVTIH-UHFFFAOYSA-NSynonyms
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC=CC=C3F
InChI=1SC22H23FN6O3Sc114(30)25157916(10815)2620(31)133322282719(29(22)2)11122421(32)17534618(17)23h310H1113H212H3(H2432)(H2530)(H2631)
MFCD08670887
N(2(5((2((4(ACETYLAMINO)PHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5((4ACETYLAMINOPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(4acetamidoanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000009328675
ZINC09328675
ZINC9328675
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