Vitas-M small molecule compound
4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile
Catalog ID
STL387167
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(OC2C=C1)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 C16H12N2O3 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3/c1-16-7-6-11(21-16)12-13(16)15(20)18(14(12)19)10-4-2-9(8-17)3-5-10/h2-7,11-13H,1H3InChIKey
NPSXBASVMDRWRN-UHFFFAOYSA-NSynonyms
4(4methyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzonitrile
4(7methyl13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzonitrile
CC12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C#N
InChI=1SC16H12N2O3c1167611(2116)1213(16)15(20)18(14(12)19)10429(817)3510h271113H1H3
MFCD03013246
ZINC000001092992
ZINC000245226829
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