Vitas-M small molecule compound
methyl 2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384237
SMILES CCC(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OC)C
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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 C14H19NO4 MW 265.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO4/c1-4-8(2)15-7-14-6-5-9(19-14)10(13(17)18-3)11(14)12(15)16/h5-6,8-11H,4,7H2,1-3H3InChIKey
KFBGPCSVPAMFAN-UHFFFAOYSA-NSynonyms
(3aS6R7aR)methyl2(secbutyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCC(C)N1CC23C=CC(O2)C(C3C1=O)C(=O)OC
CCC(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OC)C
InChI=1SC14H19NO4c148(2)15714659(1914)10(13(17)183)11(14)12(15)16h56811H47H213H3
methyl2(butan2yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD04041497
ZINC000004061954
ZINC000169294490
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