Vitas-M small molecule compound
5-{[(3-carboxy-2,2-dimethylcyclopropyl)carbonyl]amino}-2,4-dichlorobenzoic acid
Catalog ID
STL245275
SMILES O=C(C1C(C1(C)C)C(=O)O)Nc1cc(C(=O)O)c(cc1Cl)Cl
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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 C14H13Cl2NO5 MW 346.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13Cl2NO5/c1-14(2)9(10(14)13(21)22)11(18)17-8-3-5(12(19)20)6(15)4-7(8)16/h3-4,9-10H,1-2H3,(H,17,18)(H,19,20)(H,21,22)InChIKey
NRGLAZNYYAAQJL-UHFFFAOYSA-NSynonyms
1324070-78-11324070781
5(((3carboxy22dimethylcyclopropyl)carbonyl)amino)24dichlorobenzoicacid
5((3carboxy22dimethylcyclopropanecarbonyl)amino)24dichlorobenzoicacid
5(3carboxy22dimethylcyclopropanecarboxamido)24dichlorobenzoicacid
CC1(C(C1C(=O)O)C(=O)NC2=C(C=C(C(=C2)C(=O)O)Cl)Cl)C
InChI=1SC14H13Cl2NO5c114(2)9(10(14)13(21)22)11(18)17835(12(19)20)6(15)47(8)16h34910H12H3(H1718)(H1920)(H2122)
MFCD19711782
ZINC000071285390
ZINC000071285393
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