Vitas-M small molecule compound
7-({[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK256691
SMILES O=C(Cn1nc(cc1C1CC1)C(F)(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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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 C19H19F3N8O4S2 MW 544.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N8O4S2/c1-28-18(24-26-27-28)36-7-9-6-35-16-13(15(32)30(16)14(9)17(33)34)23-12(31)5-29-10(8-2-3-8)4-11(25-29)19(20,21)22/h4,8,13,16H,2-3,5-7H2,1H3,(H,23,31)(H,33,34)InChIKey
VKLKTUNFUMNNPL-UHFFFAOYSA-NSynonyms
1214118-55-41214118554
7(((5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C(=CC(=N4)C(F)(F)F)C5CC5)SC2)C(=O)O
InChI=1SC19H19F3N8O4S2c12818(24262728)36796351613(15(32)30(16)14(9)17(33)34)2312(31)52910(8238)411(2529)19(2021)22h481316H2357H21H3(H2331)(H3334)
MFCD04137819
ZINC000002809306
ZINC000002809309
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