Vitas-M small molecule compound
N-{1-[5-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK297402
SMILES O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1C)C(NC(=O)c1ccccc1F)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 C20H18F3N5O2S MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N5O2S/c1-11(24-19(30)13-5-3-4-6-14(13)21)18-26-27-20(28(18)2)31-10-17(29)25-12-7-8-15(22)16(23)9-12/h3-9,11H,10H2,1-2H3,(H,24,30)(H,25,29)InChIKey
BMKLTSRYURLYEA-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C3=CC=CC=C3F
InChI=1SC20H18F3N5O2Sc111(2419(30)13534614(13)21)18262720(28(18)2)311017(29)25127815(22)16(23)912h3911H10H212H3(H2430)(H2529)
MFCD09960973
N(1(5((2((34difluorophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)2fluorobenzamide
N(1(5((34DIFLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5(2(34difluoroanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000013956395
ZINC000013956397
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