Vitas-M small molecule compound
3-methyl-7-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL397283
SMILES O=C(c1cc(nn1C)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)19-20(6)2/h3,8,12H,4H2,1-2H3,(H,18,22)(H,24,25)InChIKey
DKRCWUMYQNGXNB-UHFFFAOYSA-NSynonyms
1214086-23-31214086233
3METHYL7(((1METHYL3(TRIFLUOROMETHYL)1HPYRAZOL5YL)CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3METHYL7((2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=CC(=NN3C)C(F)(F)F)SC1)C(=O)O
InChI=1SC14H13F3N4O4Sc15426128(11(23)21(12)9(5)13(24)25)1810(22)637(14(1516)17)1920(6)2h3812H4H212H3(H1822)(H2425)
MFCD04049380
ZINC000002784991
ZINC000006393808
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