Vitas-M small molecule compound
2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK364473
SMILES CC(CN1CC23C(C1=O)C(C(O3)C=C2)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 C13H17NO4 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO4/c1-7(2)5-14-6-13-4-3-8(18-13)9(12(16)17)10(13)11(14)15/h3-4,7-10H,5-6H2,1-2H3,(H,16,17)InChIKey
NBINFMFHODHQHK-UHFFFAOYSA-NSynonyms
436855-63-9(3aS6R7aR)2isobutyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(2methylpropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
436855639
CC(C)CN1CC23C=CC(O2)C(C3C1=O)C(=O)O
CC(CN1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)O)C
InChI=1SC13H17NO4c17(2)514613438(1813)9(12(16)17)10(13)11(14)15h34710H56H212H3(H1617)
MFCD07367213
ZINC000002507258
ZINC000013479714
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Check stock on Vitas-MAvailable files
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