Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305648
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1nc(c(c1C1CC1)Cl)C(F)(F)F
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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 C20H20ClF3N4O6S MW 536.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClF3N4O6S/c1-8(29)34-6-10-7-35-18-13(17(31)28(18)15(10)19(32)33)25-11(30)4-5-27-14(9-2-3-9)12(21)16(26-27)20(22,23)24/h9,13,18H,2-7H2,1H3,(H,25,30)(H,32,33)InChIKey
QMEVPPCITPMHCH-UHFFFAOYSA-NSynonyms
1214087-19-01214087190
3((acetyloxy)methyl)7((3(4chloro5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(3(4CHLORO5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Cl)C4CC4)SC1)C(=O)O
InChI=1SC20H20ClF3N4O6Sc18(29)346107351813(17(31)28(18)15(10)19(32)33)2511(30)452714(9239)12(21)16(2627)20(2223)24h91318H27H21H3(H2530)(H3233)
MFCD04045872
ZINC000097945785
ZINC000097945790
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