Vitas-M small molecule compound
4-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzonitrile
Catalog ID
STK757013
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(OC2C=C1)CO
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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/c17-7-9-1-3-10(4-2-9)18-14(20)12-11-5-6-16(8-19,22-11)13(12)15(18)21/h1-6,11-13,19H,8H2InChIKey
CMTHHOGCMLQNDL-UHFFFAOYSA-NSynonyms
4(4(hydroxymethyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzonitrile
4(7(hydroxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzonitrile
C1=CC2(C3C(C1O2)C(=O)N(C3=O)C4=CC=C(C=C4)C#N)CO
InChI=1SC16H12N2O4c17791310(429)1814(20)12115616(8192211)13(12)15(18)21h16111319H8H2
MFCD01305865
ZINC000101838059
ZINC000101838070
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