Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402924
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1)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 C16H15F3N4O6S MW 448.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O6S/c1-6(24)29-4-7-5-30-14-10(13(26)23(14)11(7)15(27)28)20-12(25)8-3-9(16(17,18)19)22(2)21-8/h3,10,14H,4-5H2,1-2H3,(H,20,25)(H,27,28)InChIKey
XKUDAVBEVWNXBA-UHFFFAOYSA-NSynonyms
1214854-78-01214854780
3((acetyloxy)methyl)7(((1methyl5(trifluoromethyl)1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3)C(F)(F)F)C)SC1)C(=O)O
InChI=1SC16H15F3N4O6Sc16(24)29475301410(13(26)23(14)11(7)15(27)28)2012(25)839(16(1718)19)22(2)218h31014H45H212H3(H2025)(H2728)
MFCD04049163
ZINC000019646951
ZINC000019646961
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