Vitas-M small molecule compound

3-[(acetyloxy)methyl]-8-oxo-7-({[4-(trifluoromethyl)phenyl]carbonyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK384686
SMILES O=C(c1ccc(cc1)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 C18H15F3N2O6S MW 444.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N2O6S/c1-8(24)29-6-10-7-30-16-12(15(26)23(16)13(10)17(27)28)22-14(25)9-2-4-11(5-3-9)18(19,20)21/h2-5,12,16H,6-7H2,1H3,(H,22,25)(H,27,28)
InChIKey
CELMTIZIKITZRZ-UHFFFAOYSA-N
Synonyms
1214154-90-1
1214154901
3((acetyloxy)methyl)8oxo7(((4(trifluoromethyl)phenyl)carbonyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)8OXO7((4(TRIFLUOROMETHYL)BENZOYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)C(F)(F)F)SC1)C(=O)O
InChI=1SC18H15F3N2O6Sc18(24)296107301612(15(26)23(16)13(10)17(27)28)2214(25)92411(539)18(1920)21h251216H67H21H3(H2225)(H2728)
MFCD04966775
ZINC000015947213
ZINC000015947218

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Available files

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