Vitas-M small molecule compound
pentyl (3aS,6R,7aR)-2-(4-methylbenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL539161
SMILES CCCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1ccc(cc1)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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-3-4-5-12-26-21(25)18-17-10-11-22(27-17)14-23(20(24)19(18)22)13-16-8-6-15(2)7-9-16/h6-11,17-19H,3-5,12-14H2,1-2H3/t17-,18?,19+,22-/m1/s1InChIKey
AAUKZPASJWWBTG-XFCGAFINSA-NSynonyms
956946-66-0(3aS6R7aR)pentyl2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398456
956946660
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc(cc1)C)O2
InChI=1SC22H27NO4c1345122621(25)1817101122(2717)1423(20(24)19(18)22)13168615(2)7916h6111719H351214H212H3t1718?19+22m1s1
MFCD03662281
pentyl(1~(S)5~(R)7~(R))3((4methylphenyl)methyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
pentyl(3aS6R7aR)2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002146118
ZINC000002146120
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