Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK384698
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1n(C)nc(c1Cl)C(F)(F)F
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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 C16H14ClF3N4O6S MW 482.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClF3N4O6S/c1-5(25)30-3-6-4-31-14-8(13(27)24(14)9(6)15(28)29)21-12(26)10-7(17)11(16(18,19)20)22-23(10)2/h8,14H,3-4H2,1-2H3,(H,21,26)(H,28,29)InChIKey
KOCYJYPTGFNBKN-UHFFFAOYSA-NSynonyms
1214145-74-01214145740
3((acetyloxy)methyl)7(((4chloro1methyl3(trifluoromethyl)1Hpyrazol5yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4CHLORO2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=C(C(=NN3C)C(F)(F)F)Cl)SC1)C(=O)O
InChI=1SC16H14ClF3N4O6Sc15(25)3036431148(13(27)24(14)9(6)15(28)29)2112(26)107(17)11(16(1819)20)2223(10)2h814H34H212H3(H2126)(H2829)
MFCD04049498
ZINC000016193275
ZINC000016193281
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