Vitas-M small molecule compound
3-{[2-carboxy-1-(4-fluorophenyl)ethyl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL244784
SMILES O=C(C1C(C1(C)C)C(=O)O)NC(c1ccc(cc1)F)CC(=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 C16H18FNO5 MW 323.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18FNO5/c1-16(2)12(13(16)15(22)23)14(21)18-10(7-11(19)20)8-3-5-9(17)6-4-8/h3-6,10,12-13H,7H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)InChIKey
VNFXCDFLBWDROW-UHFFFAOYSA-NSynonyms
1351681-51-01351681510
3((2carboxy1(4fluorophenyl)ethyl)carbamoyl)22dimethylcyclopropane1carboxylicacid
3((2carboxy1(4fluorophenyl)ethyl)carbamoyl)22dimethylcyclopropanecarboxylicacid
CC1(C(C1C(=O)O)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)C
InChI=1SC16H18FNO5c116(2)12(13(16)15(22)23)14(21)1810(711(19)20)8359(17)648h36101213H7H212H3(H1821)(H1920)(H2223)
MFCD20535802
ZINC000072400481
ZINC000106809897
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