Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK964535
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1cnn2c1nc(cc2C(F)F)C1CC1
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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 C21H19F2N5O6S MW 507.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5O6S/c1-8(29)34-6-10-7-35-20-14(19(31)27(20)15(10)21(32)33)26-18(30)11-5-24-28-13(16(22)23)4-12(9-2-3-9)25-17(11)28/h4-5,9,14,16,20H,2-3,6-7H2,1H3,(H,26,30)(H,32,33)InChIKey
YCEPAMYYBXSCCK-UHFFFAOYSA-NSynonyms
1214079-20-51214079205
3((acetyloxy)methyl)7(((5cyclopropyl7(difluoromethyl)pyrazolo(15a)pyrimidin3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((5CYCLOPROPYL7(DIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDINE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5CC5)SC1)C(=O)O
InChI=1SC21H19F2N5O6Sc18(29)346107352014(19(31)27(20)15(10)21(32)33)2618(30)115242813(16(22)23)412(9239)2517(11)28h459141620H2367H21H3(H2630)(H3233)
MFCD04050764
ZINC000022831405
ZINC000022831420
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