Vitas-M small molecule compound
methyl (3aS,6R,7aR)-2-(naphthalen-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL547369
SMILES COC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1cccc3c1cccc3)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 C20H17NO4 MW 335.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO4/c1-24-19(23)16-15-9-10-20(25-15)11-21(18(22)17(16)20)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,15-17H,11H2,1H3/t15-,16?,17+,20-/m1/s1InChIKey
VYDNZHOTMXWAQJ-MQWDNKACSA-NSynonyms
956815-14-8(3aS6R7aR)methyl2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398426
956815148
COC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc3c1cccc3)O2
InChI=1SC20H17NO4c12419(23)161591020(2515)1121(18(22)17(16)20)1484612523713(12)14h2101517H11H21H3t1516?17+20m1s1
methyl(1~(S)5~(R)7~(R))3naphthalen1yl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
methyl(3aS6R7aR)2(naphthalen1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03662119
ZINC000000488845
ZINC000000488846
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