Vitas-M small molecule compound
3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]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
STL403972
SMILES O=C(C(n1nc(cc1C)C(F)(F)F)C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H19F3N8O4S2 MW 532.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N8O4S2/c1-7-4-10(18(19,20)21)24-29(7)8(2)13(30)22-11-14(31)28-12(16(32)33)9(5-34-15(11)28)6-35-17-23-25-26-27(17)3/h4,8,11,15H,5-6H2,1-3H3,(H,22,30)(H,32,33)InChIKey
BGSIDJROLDTVNX-UHFFFAOYSA-NSynonyms
1214669-11-01214669110
3(((1methyl1Htetrazol5yl)sulfanyl)methyl)7((2(5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((1methyltetrazol5yl)sulfanylmethyl)7(2(5methyl3(trifluoromethyl)pyrazol1yl)propanoylamino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C(F)(F)F
InChI=1SC18H19F3N8O4S2c17410(18(1920)21)2429(7)8(2)13(30)221114(31)2812(16(32)33)9(53415(11)28)6351723252627(17)3h481115H56H213H3(H2230)(H3233)
MFCD04140757
ZINC000097945606
ZINC000226394320
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