Vitas-M small molecule compound
4-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile
Catalog ID
STL387169
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(OC2(C)C=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 C17H14N2O3 MW 294.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3/c1-16-7-8-17(2,22-16)13-12(16)14(20)19(15(13)21)11-5-3-10(9-18)4-6-11/h3-8,12-13H,1-2H3InChIKey
FPUULHKIPZJLDQ-UHFFFAOYSA-NSynonyms
4(47dimethyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzonitrile
4(47dimethyl13dioxo3a7adihydrooctahydro1H47epoxyisoindol2yl)benzonitrile
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C#N)C
InChI=1SC17H14N2O3c1167817(22216)1312(16)14(20)19(15(13)21)115310(918)4611h381213H12H3
MFCD02942167
ZINC000012402539
ZINC000101357048
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