Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK306061
SMILES O=C(Cn1nc(c(c1C1CC1)Cl)C(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)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 C19H19ClF2N4O6S MW 504.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClF2N4O6S/c1-7(27)32-5-9-6-33-18-13(17(29)26(18)15(9)19(30)31)23-10(28)4-25-14(8-2-3-8)11(20)12(24-25)16(21)22/h8,13,16,18H,2-6H2,1H3,(H,23,28)(H,30,31)InChIKey
HNETYTVYQRECAI-UHFFFAOYSA-NSynonyms
1214148-53-41214148534
3((acetyloxy)methyl)7(((4chloro5cyclopropyl3(difluoromethyl)1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(4CHLORO5CYCLOPROPYL3(DIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C(=C(C(=N3)C(F)F)Cl)C4CC4)SC1)C(=O)O
InChI=1SC19H19ClF2N4O6Sc17(27)32596331813(17(29)26(18)15(9)19(30)31)2310(28)42514(8238)11(20)12(2425)16(21)22h8131618H26H21H3(H2328)(H3031)
MFCD04046466
ZINC000008715743
ZINC000008715747
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