Vitas-M small molecule compound
3-[(4Z)-3-methyl-5-oxo-4-{4-[(thiophen-2-ylcarbonyl)oxy]benzylidene}-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL508385
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(cc1)OC(=O)c1cccs1)c1cccc(c1)C(=O)O
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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 C23H16N2O5S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O5S/c1-14-19(21(26)25(24-14)17-5-2-4-16(13-17)22(27)28)12-15-7-9-18(10-8-15)30-23(29)20-6-3-11-31-20/h2-13H,1H3,(H,27,28)/b19-12-InChIKey
SWTMHFOJGODJSH-UNOMPAQXSA-NSynonyms
3((4~(Z))3methyl5oxo4((4(thiophene2carbonyloxy)phenyl)methylidene)pyrazol1yl)benzoicacid
3((4Z)3METHYL5OXO4((4(THIOPHENE2CARBONYLOXY)PHENYL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
3((4Z)3methyl5oxo4(4((thiophen2ylcarbonyl)oxy)benzylidene)45dihydro1Hpyrazol1yl)benzoicacid
6076067
InChI=1SC23H16N2O5Sc11419(21(26)25(2414)1752416(1317)22(27)28)12157918(10815)3023(29)2063113120h213H1H3(H2728)b1912
MFCD04084726
ZINC000016160924
ZINC16160924
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