Vitas-M small molecule compound
ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL330715
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)C(F)(F)F)sc2c1CCC2
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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 C17H17BrF3N3O3S MW 480.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrF3N3O3S/c1-3-27-16(26)12-9-5-4-6-10(9)28-15(12)22-11(25)7-24-8(2)13(18)14(23-24)17(19,20)21/h3-7H2,1-2H3,(H,22,25)InChIKey
FZBWZGJBAHLEKZ-UHFFFAOYSA-NSynonyms
357611-55-3357611553
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C
ethyl2(((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ethyl2(2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetamido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(2(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOLYL)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
InChI=1SC17H17BrF3N3O3Sc132716(26)12954610(9)2815(12)2211(25)7248(2)13(18)14(2324)17(1920)21h37H212H3(H2225)
MFCD01451889
ZINC000000845145
ZINC00845145
ZINC845145
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