Vitas-M small molecule compound
2-chloro-5-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Catalog ID
STL387383
SMILES O=C1N(c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1(C)C=CC2(O1)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 C17H14ClNO5 MW 347.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO5/c1-16-5-6-17(2,24-16)12-11(16)13(20)19(14(12)21)8-3-4-10(18)9(7-8)15(22)23/h3-7,11-12H,1-2H3,(H,22,23)InChIKey
SONMLJMSILSTDJ-UHFFFAOYSA-NSynonyms
2chloro5(47dimethyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
2chloro5(47dimethyl13dioxo3a7adihydrooctahydro1H47epoxyisoindol2yl)benzoicacid
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)C
InChI=1SC17H14ClNO5c1165617(22416)1211(16)13(20)19(14(12)21)83410(18)9(78)15(22)23h371112H12H3(H2223)
MFCD02210122
ZINC000005575337
ZINC000101360003
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