Vitas-M small molecule compound
3-methyl-7-({[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK964459
SMILES O=C(c1cc(n(n1)C)C(F)(F)F)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 C14H13F3N4O4S MW 390.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13F3N4O4S/c1-5-4-26-12-8(11(23)21(12)9(5)13(24)25)18-10(22)6-3-7(14(15,16)17)20(2)19-6/h3,8,12H,4H2,1-2H3,(H,18,22)(H,24,25)InChIKey
RCWXWLSUEJWAIA-UHFFFAOYSA-NSynonyms
1214140-58-51214140585
3methyl7(((1methyl5(trifluoromethyl)1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3METHYL7((1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3)C(F)(F)F)C)SC1)C(=O)O
InChI=1SC14H13F3N4O4Sc15426128(11(23)21(12)9(5)13(24)25)1810(22)637(14(1516)17)20(2)196h3812H4H212H3(H1822)(H2425)
MFCD04049164
ZINC000002783601
ZINC000002783604
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