Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405652
SMILES O=C(Cn1nc(cc1C1CC1)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 C19H19F3N4O6S MW 488.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4O6S/c1-8(27)32-6-10-7-33-17-14(16(29)26(17)15(10)18(30)31)23-13(28)5-25-11(9-2-3-9)4-12(24-25)19(20,21)22/h4,9,14,17H,2-3,5-7H2,1H3,(H,23,28)(H,30,31)InChIKey
UCPQCABXXSZFAV-UHFFFAOYSA-NSynonyms
1214186-62-51214186625
3((acetyloxy)methyl)7(((5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C4CC4)SC1)C(=O)O
InChI=1SC19H19F3N4O6Sc18(27)326107331714(16(29)26(17)15(10)18(30)31)2313(28)52511(9239)412(2425)19(2021)22h491417H2357H21H3(H2328)(H3031)
MFCD05667018
ZINC000009431446
ZINC000009431452
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