Vitas-M small molecule compound
(3aS,6R)-1-oxo-2-phenyl-N-(4-phenylbutan-2-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534927
SMILES CC(NC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccccc1)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 C25H26N2O3 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3/c1-17(12-13-18-8-4-2-5-9-18)26-23(28)21-20-14-15-25(30-20)16-27(24(29)22(21)25)19-10-6-3-7-11-19/h2-11,14-15,17,20-22H,12-13,16H2,1H3,(H,26,28)/t17?,20-,21?,22?,25-/m1/s1InChIKey
DOQJCMSPVWOHSQ-SVHBALEWSA-NSynonyms
(1~(S)7~(R))4oxo3phenyl~(N)(4phenylbutan2yl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)1oxo2phenylN(4phenylbutan2yl)123677ahexahydro3a6epoxyisoindole7carboxamide
132934006
C(C@@H)(NC(=O)(C@H)1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccccc1)O2)CCc1ccccc1
InChI=1SC25H26N2O3c117(1213188425918)2623(28)2120141525(3020)1627(24(29)22(21)25)19106371119h2111415172022H121316H21H3(H2628)t17?2021?22?25m1s1
ZINC000015894303
ZINC000035485169
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