Vitas-M small molecule compound
N-{2-[5-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK297428
SMILES O=C(Nc1ccc(c(c1)F)F)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 C20H18F3N5O2S MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N5O2S/c1-28-17(8-9-24-19(30)13-4-2-3-5-14(13)21)26-27-20(28)31-11-18(29)25-12-6-7-15(22)16(23)10-12/h2-7,10H,8-9,11H2,1H3,(H,24,30)(H,25,29)InChIKey
AUFJOYJKGBBONE-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H18F3N5O2Sc12817(892419(30)13423514(13)21)262720(28)311118(29)25126715(22)16(23)1012h2710H8911H21H3(H2430)(H2529)
MFCD09960999
N(2(5((2((34difluorophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)2fluorobenzamide
N(2(5((34DIFLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(34difluoroanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000013956431
ZINC13956431
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