Vitas-M small molecule compound
(3aR,6S,7aS)-2-[4-(acetylamino)phenyl]-1-oxo-N-(4-phenylbutan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535104
SMILES CC(NC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2)CCc1ccccc1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-17(8-9-19-6-4-3-5-7-19)28-25(32)23-22-14-15-27(34-22)16-30(26(33)24(23)27)21-12-10-20(11-13-21)29-18(2)31/h3-7,10-15,17,22-24H,8-9,16H2,1-2H3,(H,28,32)(H,29,31)/t17?,22-,23?,24+,27-/m0/s1InChIKey
AXVILVMEOGQDNB-ZKDSOAEXSA-NSynonyms
(1~(R)5~(S)7~(S))3(4acetamidophenyl)4oxo~(N)(4phenylbutan2yl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)2(4(acetylamino)phenyl)1oxoN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
(6S)2(4acetamidophenyl)1oxoN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
135639442
C(C@@H)(NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2)CCc1ccccc1
InChI=1SC27H29N3O4c117(89196435719)2825(32)2322141527(3422)1630(26(33)24(23)27)21121020(111321)2918(2)31h371015172224H8916H212H3(H2832)(H2931)t17?2223?24+27m0s1
MFCD09796037
ZINC000015894258
ZINC000015894261
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