Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405689
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(Cn1nc(c(c1C)Cl)C)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 C19H23ClN4O6S MW 470.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O6S/c1-8(5-23-10(3)13(20)9(2)22-23)16(26)21-14-17(27)24-15(19(28)29)12(6-30-11(4)25)7-31-18(14)24/h8,14,18H,5-7H2,1-4H3,(H,21,26)(H,28,29)InChIKey
GLWRNZFZGQSOCS-UHFFFAOYSA-NSynonyms
1214089-79-81214089798
3((acetyloxy)methyl)7((3(4chloro35dimethyl1Hpyrazol1yl)2methylpropanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((3(4CHLORO35DIMETHYLPYRAZOL1YL)2METHYLPROPANOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Cl
InChI=1SC19H23ClN4O6Sc18(52310(3)13(20)9(2)2223)16(26)211417(27)2415(19(28)29)12(63011(4)25)73118(14)24h81418H57H214H3(H2126)(H2829)
MFCD05666992
ZINC000013138970
ZINC000036007513
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