Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405668
SMILES FC(c1cc(n(n1)CC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)C1CC1)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 C19H20F2N4O6S MW 470.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F2N4O6S/c1-8(26)31-6-10-7-32-18-14(17(28)25(18)15(10)19(29)30)22-13(27)5-24-12(9-2-3-9)4-11(23-24)16(20)21/h4,9,14,16,18H,2-3,5-7H2,1H3,(H,22,27)(H,29,30)InChIKey
YCPWHETUDKVPEF-UHFFFAOYSA-NSynonyms
1214853-17-41214853174
3((acetyloxy)methyl)7(((5cyclopropyl3(difluoromethyl)1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(5CYCLOPROPYL3(DIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C(=CC(=N3)C(F)F)C4CC4)SC1)C(=O)O
InChI=1SC19H20F2N4O6Sc18(26)316107321814(17(28)25(18)15(10)19(29)30)2213(27)52412(9239)411(2324)16(20)21h49141618H2357H21H3(H2227)(H2930)
MFCD05667003
ZINC000009431487
ZINC000009431492
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