Vitas-M small molecule compound
6-({[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Catalog ID
STL400083
SMILES O=C(c1n(C)nc(c1Br)C(F)(F)F)NC1C(=O)N2C1SC(C2C(=O)O)(C)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 C14H14BrF3N4O4S MW 471.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14BrF3N4O4S/c1-13(2)8(12(25)26)22-10(24)5(11(22)27-13)19-9(23)6-4(15)7(14(16,17)18)20-21(6)3/h5,8,11H,1-3H3,(H,19,23)(H,25,26)InChIKey
SPJHKWPYVKGUCN-UHFFFAOYSA-NSynonyms
1044261-89-31044261893
6(((4bromo1methyl3(trifluoromethyl)1Hpyrazol5yl)carbonyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylicacid
6((4BROMO1METHYL3(TRIFLUOROMETHYL)PYRAZOL5YL)CARBONYLAMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLICACID
6((4BROMO2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLICACID
CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C(=NN3C)C(F)(F)F)Br)C(=O)O)C
InChI=1SC14H14BrF3N4O4Sc113(2)8(12(25)26)2210(24)5(11(22)2713)199(23)64(15)7(14(1617)18)2021(6)3h5811H13H3(H1923)(H2526)
MFCD04050160
ZINC000020602366
ZINC000035678089
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