Vitas-M small molecule compound
4-[(4Z)-3-methyl-5-oxo-4-{3-[(thiophen-2-ylcarbonyl)oxy]benzylidene}-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL432516
SMILES CC1=NN(C(=O)/C/1=C\c1cccc(c1)OC(=O)c1cccs1)c1ccc(cc1)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)17-9-7-16(8-10-17)22(27)28)13-15-4-2-5-18(12-15)30-23(29)20-6-3-11-31-20/h2-13H,1H3,(H,27,28)/b19-13-InChIKey
ZHQHKCJWMGYQIQ-UYRXBGFRSA-NSynonyms
4((4Z)3METHYL5OXO4((3(THIOPHENE2CARBONYLOXY)PHENYL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
4((4Z)3methyl5oxo4(3((thiophen2ylcarbonyl)oxy)benzylidene)45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=Cc1cccc(c1)OC(=O)c1cccs1)c1ccc(cc1)C(=O)O
CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)O
InChI=1SC23H16N2O5Sc11419(21(26)25(2414)179716(81017)22(27)28)131542518(1215)3023(29)2063113120h213H1H3(H2728)b1913
MFCD03307304
ZINC000016156203
ZINC16156203
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