Vitas-M small molecule compound
3-{(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STL431363
SMILES CC1=NN(C(=O)/C/1=C\c1cccc(c1)OC(=O)c1cccs1)c1ccc(cc1)S(=O)(=O)N
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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 C22H17N3O5S2 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S2/c1-14-19(21(26)25(24-14)16-7-9-18(10-8-16)32(23,28)29)13-15-4-2-5-17(12-15)30-22(27)20-6-3-11-31-20/h2-13H,1H3,(H2,23,28,29)/b19-13-InChIKey
ZBKIRUSAWFDWOZ-UYRXBGFRSA-NSynonyms
(3((Z)(3methyl5oxo1(4sulfamoylphenyl)pyrazol4ylidene)methyl)phenyl)thiophene2carboxylate
3((Z)(3methyl5oxo1(4sulfamoylphenyl)15dihydro4Hpyrazol4ylidene)methyl)phenylthiophene2carboxylate
CC1=NN(C(=O)C1=Cc1cccc(c1)OC(=O)c1cccs1)c1ccc(cc1)S(=O)(=O)N
CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)S(=O)(=O)N
InChI=1SC22H17N3O5S2c11419(21(26)25(2414)167918(10816)32(2328)29)131542517(1215)3022(27)2063113120h213H1H3(H2232829)b1913
MFCD05129943
ZINC000032099633
ZINC32099633
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