Vitas-M small molecule compound
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK034985
SMILES C/C(=C\CN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)/CCC=C(C)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 C19H25NO4 MW 331.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO4/c1-12(2)5-4-6-13(3)8-10-20-11-19-9-7-14(24-19)15(18(22)23)16(19)17(20)21/h5,7-9,14-16H,4,6,10-11H2,1-3H3,(H,22,23)/b13-8+InChIKey
QUOGRGMWDHAAQO-MDWZMJQESA-NSynonyms
(3aS6R)2((Z)37dimethylocta26dien1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2((2E)37dimethylocta26dien1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(=CCCC(=CCN1CC23C=CC(O2)C(C3C1=O)C(=O)O)C)C
CC(=CCN1C(C@@)23C(C1=O)C((C@H)(O3)C=C2)C(=O)O)CCC=C(C)C
CC(=CCN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)CCC=C(C)C
InChI=1SC19H25NO4c112(2)54613(3)8102011199714(2419)15(18(22)23)16(19)17(20)21h5791416H461011H213H3(H2223)b138+
MFCD08672123
STK034985
ZINC000012379222
ZINC000036025453
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