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7-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STL405667
SMILES O=C(Cn1nc(c(c1C)Cl)C(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C

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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 C17H17ClF2N8O4S2 MW 534.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClF2N8O4S2/c1-6-9(18)10(13(19)20)23-27(6)3-8(29)21-11-14(30)28-12(16(31)32)7(4-33-15(11)28)5-34-17-22-24-25-26(17)2/h11,13,15H,3-5H2,1-2H3,(H,21,29)(H,31,32)
InChIKey
WXJFBOCHVBPNTB-UHFFFAOYSA-N
Synonyms
1214057-01-8
1214057018
7(((4chloro3(difluoromethyl)5methyl1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(((4CHLORO3(DIFLUOROMETHYL)5METHYL1HPYRAZOL1YL)ACETYL)AMINO)3(((1METHYL1HTETRAZOL5YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4CHLORO3(DIFLUOROMETHYL)5METHYL1PYRAZOLYL)1OXOETHYL)AMINO)3(((1METHYL5TETRAZOLYL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4CHLORO3(DIFLUOROMETHYL)5METHYLPYRAZOL1YL)ACETYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4CHLORO3(DIFLUOROMETHYL)5METHYLPYRAZOL1YL)ACETYL)AMINO)8KETO3(((1METHYLTETRAZOL5YL)THIO)METHYL)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C(F)F)Cl
InChI=1SC17H17ClF2N8O4S2c169(18)10(13(19)20)2327(6)38(29)211114(30)2812(16(31)32)7(43315(11)28)5341722242526(17)2h111315H35H212H3(H2129)(H3132)
MFCD05667297
ZINC000002732799
ZINC000002732802

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Available files

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