Vitas-M small molecule compound
(3aR,6S,7aS)-2-[4-(acetylamino)phenyl]-N-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535350
SMILES CC(=O)Nc1ccc(cc1)N1C[C@]23[C@@H](C1=O)C([C@H](O3)C=C2)C(=O)NCc1ccccc1
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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 C24H23N3O4 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4/c1-15(28)26-17-7-9-18(10-8-17)27-14-24-12-11-19(31-24)20(21(24)23(27)30)22(29)25-13-16-5-3-2-4-6-16/h2-12,19-21H,13-14H2,1H3,(H,25,29)(H,26,28)/t19-,20?,21+,24-/m0/s1InChIKey
KPMOOWYJUJQXOS-YKPQRPAASA-NSynonyms
(1~(R)5~(S)7~(S))3(4acetamidophenyl)~(N)benzyl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)2(4(acetylamino)phenyl)Nbenzyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6S)2(4acetamidophenyl)Nbenzyl1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639448
CC(=O)Nc1ccc(cc1)N1C(C@)23(C@H)(C1=O)(C@@H)((C@H)(O3)C=C2)C(=O)NCc1ccccc1
InChI=1SC24H23N3O4c115(28)26177918(10817)271424121119(3124)20(21(24)23(27)30)22(29)2513165324616h2121921H1314H21H3(H2529)(H2628)t1920?21+24m0s1
MFCD09797231
ZINC000015894309
ZINC000015894310
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