Vitas-M small molecule compound
2-{8-[bis(4-methylphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzonitrile
Catalog ID
STL455162
SMILES N#Cc1ccccc1N1C(=O)C2C(C1=O)C1/C(=C(\c3ccc(cc3)C)/c3ccc(cc3)C)/C2C=C1
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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 C31H24N2O2 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O2/c1-18-7-11-20(12-8-18)26(21-13-9-19(2)10-14-21)27-23-15-16-24(27)29-28(23)30(34)33(31(29)35)25-6-4-3-5-22(25)17-32/h3-16,23-24,28-29H,1-2H3InChIKey
FCNDCUMJXZKEIM-UHFFFAOYSA-NSynonyms
2(8(bis(4methylphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzonitrile
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C#N)C6=CC=C(C=C6)C
InChI=1SC31H24N2O2c11871120(12818)26(2113919(2)101421)2723151624(27)2928(23)30(34)33(31(29)35)25643522(25)1732h31623242829H12H3
MFCD03557180
N#Cc1ccccc1N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)C)c3ccc(cc3)C)C2C=C1
ZINC000101024460
ZINC000245226587
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