Vitas-M small molecule compound
2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK778616
SMILES COc1cc(OC)c(cc1N1CC23C(C1=O)C(C(O2)C=C3)C(=O)O)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 C17H16ClNO6 MW 365.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO6/c1-23-11-6-12(24-2)9(5-8(11)18)19-7-17-4-3-10(25-17)13(16(21)22)14(17)15(19)20/h3-6,10,13-14H,7H2,1-2H3,(H,21,22)InChIKey
AFQKCAKHRSIRMH-UHFFFAOYSA-NSynonyms
1005262-38-3(6R7S7aR)2(5chloro24dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1005262383
2(5chloro24dimethoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
COC1=CC(=C(C=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)O)Cl)OC
InChI=1SC17H16ClNO6c12311612(242)9(58(11)18)197174310(2517)13(16(21)22)14(17)15(19)20h36101314H7H212H3(H2122)
MFCD05856882
ZINC000002553852
ZINC000217347246
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