Vitas-M small molecule compound
methyl (3aS,6R)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL527432
SMILES COC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-10-3-5-11(6-4-10)18-9-17-8-7-12(22-17)13(16(20)21-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3/t12-,13?,14?,17-/m1/s1InChIKey
DMRBQOLWMOKGJR-QROZZAMVSA-NSynonyms
(3aS6R)methyl1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
16397927
COC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)c1ccc(cc1)C)O2
InChI=1SC17H17NO4c1103511(6410)189178712(2217)13(16(20)212)14(17)15(18)19h381214H9H212H3t1213?14?17m1s1
methyl(1~(S)7~(R))3(4methylphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
methyl(3aS6R)2(4methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03659840
ZINC000001322346
ZINC000004040520
Check stock
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Check stock on Vitas-MAvailable files
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