Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405671
SMILES FC(c1cc(n(n1)CC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)C)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 C17H18F2N4O6S MW 444.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F2N4O6S/c1-7-3-10(14(18)19)21-22(7)4-11(25)20-12-15(26)23-13(17(27)28)9(5-29-8(2)24)6-30-16(12)23/h3,12,14,16H,4-6H2,1-2H3,(H,20,25)(H,27,28)InChIKey
WEDRVWSOQKXMFE-UHFFFAOYSA-NSynonyms
1214095-62-11214095621
3((acetyloxy)methyl)7(((3(difluoromethyl)5methyl1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(3(DIFLUOROMETHYL)5METHYLPYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)F
InChI=1SC17H18F2N4O6Sc17310(14(18)19)2122(7)411(25)201215(26)2313(17(27)28)9(5298(2)24)63016(12)23h3121416H46H212H3(H2025)(H2728)
MFCD05667012
ZINC000019640141
ZINC000019640159
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