Vitas-M small molecule compound
(3aR,6S,7aS)-N-(4-methoxybenzyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL536850
SMILES COc1ccc(cc1)CNC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)CCc1ccccc1)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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-30-19-9-7-18(8-10-19)15-26-23(28)21-20-11-13-25(31-20)16-27(24(29)22(21)25)14-12-17-5-3-2-4-6-17/h2-11,13,20-22H,12,14-16H2,1H3,(H,26,28)/t20-,21?,22+,25-/m0/s1InChIKey
HRVRBCMCGSNJCC-XTMJHDMTSA-NSynonyms
(1~(R)5~(S)7~(S))~(N)((4methoxyphenyl)methyl)4oxo3(2phenylethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S7aS)N(4methoxybenzyl)1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aR6S7aS)N(4methoxybenzyl)1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxamide
132934833
COc1ccc(cc1)CNC(=O)(C@@H)1(C@H)2C=C(C@)3((C@H)1C(=O)N(C3)CCc1ccccc1)O2
InChI=1SC25H26N2O4c130199718(81019)152623(28)2120111325(3120)1627(24(29)22(21)25)1412175324617h211132022H121416H21H3(H2628)t2021?22+25m0s1
ZINC000015894274
ZINC000015894275
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