Vitas-M small molecule compound
3-({3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STL428932
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1sccc1C(=O)Nc1ccccc1F
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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 C21H21FN2O4S MW 416.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O4S/c22-14-3-1-2-4-15(14)23-18(25)13-9-10-29-20(13)24-19(26)16-11-5-7-12(8-6-11)17(16)21(27)28/h1-4,9-12,16-17H,5-8H2,(H,23,25)(H,24,26)(H,27,28)InChIKey
GWGQFHJNDBPADB-UHFFFAOYSA-NSynonyms
2((3((2fluorophenyl)carbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3((2fluorophenyl)carbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(N(2FLUOROPHENYL)CARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=C(C=CS3)C(=O)NC4=CC=CC=C4F
InChI=1SC21H21FN2O4Sc2214312415(14)2318(25)139102920(13)2419(26)16115712(8611)17(16)21(27)28h149121617H58H2(H2325)(H2426)(H2728)
MFCD06025884
ZINC000017090609
ZINC000017090612
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