Vitas-M small molecule compound
benzyl 2-(3-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384212
SMILES Cc1cccc(c1)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OCc1ccccc1
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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 C23H21NO4 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO4/c1-15-6-5-9-17(12-15)24-14-23-11-10-18(28-23)19(20(23)21(24)25)22(26)27-13-16-7-3-2-4-8-16/h2-12,18-20H,13-14H2,1H3InChIKey
XSVSBZRMUYPSPI-UHFFFAOYSA-NSynonyms
(3aS6R7aR)benzyl1oxo2(mtolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
benzyl2(3methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC1=CC(=CC=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC5=CC=CC=C5
Cc1cccc(c1)N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCc1ccccc1
InChI=1SC23H21NO4c11565917(1215)241423111018(2823)19(20(23)21(24)25)22(26)2713167324816h2121820H1314H21H3
MFCD03849279
ZINC000001134473
ZINC000016041933
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