Vitas-M small molecule compound
2-(2-cyanophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK802113
SMILES N#Cc1ccccc1N1CC23C(C1=O)C(C(O3)C=C2)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 C16H12N2O4 MW 296.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O4/c17-7-9-3-1-2-4-10(9)18-8-16-6-5-11(22-16)12(15(20)21)13(16)14(18)19/h1-6,11-13H,8H2,(H,20,21)InChIKey
XHORVXDSTBICDQ-UHFFFAOYSA-NSynonyms
1005151-04-1(6R7S7aR)2(2cyanophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1005151041
2(2cyanophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1C23C=CC(O2)C(C3C(=O)N1C4=CC=CC=C4C#N)C(=O)O
InChI=1SC16H12N2O4c1779312410(9)188166511(2216)12(15(20)21)13(16)14(18)19h161113H8H2(H2021)
MFCD05668075
ZINC000002443420
ZINC000217348174
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