Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL403125
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1c(C)nn(c1C)C(F)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/c1-6-10(7(2)23(21-6)17(18)19)13(25)20-11-14(26)22-12(16(27)28)9(4-29-8(3)24)5-30-15(11)22/h11,15,17H,4-5H2,1-3H3,(H,20,25)(H,27,28)InChIKey
VGIIZXGKYIOMQQ-UHFFFAOYSA-NSynonyms
1214682-31-11214682311
3((acetyloxy)methyl)7(((1(difluoromethyl)35dimethyl1Hpyrazol4yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((1(DIFLUOROMETHYL)35DIMETHYLPYRAZOLE4CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C(F)F)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC17H18F2N4O6Sc1610(7(2)23(216)17(18)19)13(25)201114(26)2212(16(27)28)9(4298(3)24)53015(11)22h111517H45H213H3(H2025)(H2728)
MFCD04049589
ZINC000019640115
ZINC000019640137
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