Vitas-M small molecule compound
1-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK003723
SMILES CC1=CC(C(C(C1)C)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 C19H25NO4 MW 331.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO4/c1-10-6-11(2)13(12(3)7-10)8-20-9-19-5-4-14(24-19)15(18(22)23)16(19)17(20)21/h4-6,11-16H,7-9H2,1-3H3,(H,22,23)InChIKey
AVEIOIMSQGNDBX-UHFFFAOYSA-NSynonyms
(3aR6S)1oxo2((246trimethylcyclohex3en1yl)methyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1oxo2((246trimethylcyclohex3en1yl)methyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=CC(C(C(C1)C)CN1C(C@)23C(C1=O)C((C@@H)(O3)C=C2)C(=O)O)C
CC1=CC(C(C(C1)C)CN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)C
CC1CC(=CC(C1CN2CC34C=CC(O3)C(C4C2=O)C(=O)O)C)C
InChI=1SC19H25NO4c110611(2)13(12(3)710)8209195414(2419)15(18(22)23)16(19)17(20)21h461116H79H213H3(H2223)
MFCD02127713
STK003723
ZINC000004549374
ZINC000239009557
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