Vitas-M small molecule compound
benzyl 2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384228
SMILES COc1ccc(cc1)C(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OCc1ccccc1)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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-16(18-8-10-19(29-2)11-9-18)26-15-25-13-12-20(31-25)21(22(25)23(26)27)24(28)30-14-17-6-4-3-5-7-17/h3-13,16,20-22H,14-15H2,1-2H3InChIKey
IWQFKCBKKFOHQE-UHFFFAOYSA-NSynonyms
(3aS6R7aR)benzyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
benzyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C1=CC=C(C=C1)OC)N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCc1ccccc1)C
InChI=1SC25H25NO5c116(1881019(292)11918)261525131220(3125)21(22(25)23(26)27)24(28)3014176435717h313162022H1415H212H3
MFCD04041488
ZINC000004555092
ZINC000226889159
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