Vitas-M small molecule compound
2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK384170
SMILES CCCCN1CC23C(C1=O)C(C(O2)C=C3)C(=O)O
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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 C13H17NO4 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO4/c1-2-3-6-14-7-13-5-4-8(18-13)9(12(16)17)10(13)11(14)15/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,17)InChIKey
NDFHHBIZCGCWAK-UHFFFAOYSA-NSynonyms
1212364-24-3(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212364243
2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CCCCN1C(C@)23(C@H)(C1=O)C((C@H)(O2)C=C3)C(=O)O
CCCCN1CC23C=CC(O2)C(C3C1=O)C(=O)O
InChI=1SC13H17NO4c123614713548(1813)9(12(16)17)10(13)11(14)15h45810H2367H21H3(H1617)
MFCD07369066
ZINC000003905463
ZINC000012404549
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