Vitas-M small molecule compound
N-{2-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK186694
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)CCNC(=O)c1ccccc1F)Cl
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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 C21H21ClFN5O3S MW 477.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O3S/c1-28-18(9-10-24-20(30)14-5-3-4-6-15(14)23)26-27-21(28)32-12-19(29)25-16-11-13(22)7-8-17(16)31-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
QDHBRCDZGDPRFJ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)CCNC(=O)C3=CC=CC=C3F
InChI=1SC21H21ClFN5O3Sc12818(9102420(30)14534615(14)23)262721(28)321219(29)25161113(22)7817(16)312h3811H91012H212H3(H2430)(H2529)
MFCD06000736
N(2(5((2((5CHLORO2METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(5CHLORO2METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000002868890
ZINC02868890
ZINC2868890
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