Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({2-[5-methyl-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
STL405655
SMILES CC(n1nc(cc1C)C(F)(F)F)C(=O)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 C18H19F3N4O6S MW 476.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N4O6S/c1-7-4-11(18(19,20)21)23-25(7)8(2)14(27)22-12-15(28)24-13(17(29)30)10(5-31-9(3)26)6-32-16(12)24/h4,8,12,16H,5-6H2,1-3H3,(H,22,27)(H,29,30)InChIKey
VIOHAEUPVFQPIE-UHFFFAOYSA-NSynonyms
1214688-76-21214688762
3((acetyloxy)methyl)7((2(5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)(F)F
InChI=1SC18H19F3N4O6Sc17411(18(1920)21)2325(7)8(2)14(27)221215(28)2413(17(29)30)10(5319(3)26)63216(12)24h481216H56H213H3(H2227)(H2930)
MFCD05667004
ZINC000022712384
ZINC000033771930
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