Vitas-M small molecule compound
7-({[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402624
SMILES O=C(c1nn(c(c1Cl)C(F)(F)F)C)NC1C(=O)N2C1SCC(=C2C(=O)O)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 C14H12ClF3N4O4S MW 424.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClF3N4O4S/c1-4-3-27-12-7(11(24)22(12)8(4)13(25)26)19-10(23)6-5(15)9(14(16,17)18)21(2)20-6/h7,12H,3H2,1-2H3,(H,19,23)(H,25,26)InChIKey
HDVUMAIUFSHNAZ-UHFFFAOYSA-NSynonyms
1214818-16-21214818162
7(((4chloro1methyl5(trifluoromethyl)1Hpyrazol3yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4CHLORO1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3Cl)C(F)(F)F)C)SC1)C(=O)O
InChI=1SC14H12ClF3N4O4Sc14327127(11(24)22(12)8(4)13(25)26)1910(23)65(15)9(14(1617)18)21(2)206h712H3H212H3(H1923)(H2526)
MFCD04049381
ZINC000002783591
ZINC000002783594
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