Vitas-M small molecule compound
3-[(acetyloxy)methyl]-8-oxo-7-({[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK256693
SMILES O=C(Cn1ccc(n1)C(F)(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=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 C16H15F3N4O6S MW 448.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O6S/c1-7(24)29-5-8-6-30-14-11(13(26)23(14)12(8)15(27)28)20-10(25)4-22-3-2-9(21-22)16(17,18)19/h2-3,11,14H,4-6H2,1H3,(H,20,25)(H,27,28)InChIKey
WOYJRZLLONOBTG-UHFFFAOYSA-NSynonyms
3((acetyloxy)methyl)8oxo7(((3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)8OXO7((2(3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C=CC(=N3)C(F)(F)F)SC1)C(=O)O
InChI=1SC16H15F3N4O6Sc17(24)29586301411(13(26)23(14)12(8)15(27)28)2010(25)422329(2122)16(1718)19h231114H46H21H3(H2025)(H2728)
MFCD08680754
ZINC000009355856
ZINC000013847970
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