Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({2-[4-chloro-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
STK384937
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1C)Cl)C(F)(F)F)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 C18H18ClF3N4O6S MW 510.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClF3N4O6S/c1-6-10(19)13(18(20,21)22)24-26(6)7(2)14(28)23-11-15(29)25-12(17(30)31)9(4-32-8(3)27)5-33-16(11)25/h7,11,16H,4-5H2,1-3H3,(H,23,28)(H,30,31)InChIKey
VGUUDSNUJASRMW-UHFFFAOYSA-NSynonyms
1214812-02-81214812028
3((acetyloxy)methyl)7((2(4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(4CHLORO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)(F)F)Cl
InChI=1SC18H18ClF3N4O6Sc1610(19)13(18(2021)22)2426(6)7(2)14(28)231115(29)2512(17(30)31)9(4328(3)27)53316(11)25h71116H45H213H3(H2328)(H3031)
MFCD04046450
ZINC000008715731
ZINC000013640314
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