Vitas-M small molecule compound
3-{[(3-carboxy-2,2-dimethylcyclopropyl)carbonyl]amino}-4-(propan-2-yloxy)benzoic acid
Catalog ID
STL249434
SMILES CC(Oc1ccc(cc1NC(=O)C1C(C1(C)C)C(=O)O)C(=O)O)C
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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 C17H21NO6 MW 335.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO6/c1-8(2)24-11-6-5-9(15(20)21)7-10(11)18-14(19)12-13(16(22)23)17(12,3)4/h5-8,12-13H,1-4H3,(H,18,19)(H,20,21)(H,22,23)InChIKey
WAAVDVOKUUWFMR-UHFFFAOYSA-NSynonyms
1324088-01-81324088018
3(((3carboxy22dimethylcyclopropyl)carbonyl)amino)4(propan2yloxy)benzoicacid
3((3carboxy22dimethylcyclopropanecarbonyl)amino)4propan2yloxybenzoicacid
3(3carboxy22dimethylcyclopropanecarboxamido)4isopropoxybenzoicacid
CC(C)OC1=C(C=C(C=C1)C(=O)O)NC(=O)C2C(C2(C)C)C(=O)O
InChI=1SC17H21NO6c18(2)2411659(15(20)21)710(11)1814(19)1213(16(22)23)17(123)4h581213H14H3(H1819)(H2021)(H2223)
MFCD19712479
ZINC000071286854
ZINC000071286859
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