Vitas-M small molecule compound
N-(4-chlorobenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL058288
SMILES COc1ccc(cc1)C(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)NCc1ccc(cc1)Cl)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 C25H25ClN2O4 MW 452.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O4/c1-15(17-5-9-19(31-2)10-6-17)28-14-25-12-11-20(32-25)21(22(25)24(28)30)23(29)27-13-16-3-7-18(26)8-4-16/h3-12,15,20-22H,13-14H2,1-2H3,(H,27,29)InChIKey
UPBXAQFPCNVUHZ-UHFFFAOYSA-NSynonyms
1212117-11-7(3aS6R)N(4chlorobenzyl)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
1212117117
CC(C1=CC=C(C=C1)OC)N2CC34C=CC(O3)C(C4C2=O)C(=O)NCC5=CC=C(C=C5)Cl
COc1ccc(cc1)(C@@H)(N1C(C@@)23(C@H)(C1=O)(C@@H)((C@H)(O3)C=C2)C(=O)NCc1ccc(cc1)Cl)C
InChI=1SC25H25ClN2O4c115(175919(312)10617)281425121120(3225)21(22(25)24(28)30)23(29)2713163718(26)8416h312152022H1314H212H3(H2729)
MFCD08292157
N(4chlorobenzyl)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
ZINC000009435801
ZINC000245247525
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