Vitas-M small molecule compound
(3aR,6S,7aS)-2-[4-(acetylamino)phenyl]-N-(2-hydroxyethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535116
SMILES OCCNC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2
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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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c1-11(24)21-12-2-4-13(5-3-12)22-10-19-7-6-14(27-19)15(16(19)18(22)26)17(25)20-8-9-23/h2-7,14-16,23H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15?,16+,19-/m0/s1InChIKey
IAWVTGHGKLSNCG-RIQBRJOOSA-NSynonyms
(1~(R)5~(S)7~(S))3(4acetamidophenyl)~(N)(2hydroxyethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)2(4(acetylamino)phenyl)N(2hydroxyethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)2(4acetamidophenyl)N(2hydroxyethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
132933907
InChI=1SC19H21N3O5c111(24)21122413(5312)2210197614(2719)15(16(19)18(22)26)17(25)208923h27141623H810H21H3(H2025)(H2124)t1415?16+19m0s1
MFCD09795055
OCCNC(=O)(C@H)1(C@@H)2C=C(C@@)3((C@H)1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2
ZINC000008880016
ZINC000008880018
Check stock
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Check stock on Vitas-MAvailable files
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