Vitas-M small molecule compound
4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)phenyl acetate
Catalog ID
STL387189
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1(OC2(C)C=C1)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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,13-14H,1-3H3InChIKey
LXXKBDFANWWGAO-UHFFFAOYSA-NSynonyms
(4(47dimethyl13dioxo3a7adihydrooctahydro1H47epoxyisoindol2yl)phenyl)acetate
4(47dimethyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C=CC3(O4)C)C
InChI=1SC18H17NO5c110(20)23126411(5712)1915(21)1314(16(19)22)18(3)9817(132)2418h491314H13H3
MFCD02276801
ZINC000169295501
ZINC000169295503
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