Vitas-M small molecule compound
butyl 2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384147
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccccc1)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-2-3-11-24-19(23)16-15-9-10-20(25-15)13-21(18(22)17(16)20)12-14-7-5-4-6-8-14/h4-10,15-17H,2-3,11-13H2,1H3InChIKey
CCZMVIGWPWOECP-UHFFFAOYSA-NSynonyms
(3aS6R7aR)butyl2benzyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2benzyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccccc1)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CC=C4)O2
InChI=1SC20H23NO4c123112419(23)161591020(2515)1321(18(22)17(16)20)12147546814h4101517H231113H21H3
MFCD04041474
ZINC000100846367
ZINC000239030606
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