Vitas-M small molecule compound
3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL346477
SMILES Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-11-9-12(2)23-21(22-11)25-31(29,30)16-7-5-15(6-8-16)24-19(26)17-13-3-4-14(10-13)18(17)20(27)28/h3-9,13-14,17-18H,10H2,1-2H3,(H,24,26)(H,27,28)(H,22,23,25)InChIKey
YRDYXRXWPWGRKW-UHFFFAOYSA-NSynonyms
1005138-64-6(1S3R)3((4(N(46dimethylpyrimidin2yl)sulfamoyl)phenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
1005138646
2((4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4((46dimethylpyrimidin2yl)sulfamoyl)phenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC21H22N4O5Sc111912(2)2321(2211)2531(2930)167515(6816)2419(26)17133414(1013)18(17)20(27)28h3913141718H10H212H3(H2426)(H2728)(H222325)
MFCD03502405
ZINC000100083189
ZINC000245312916
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