Vitas-M small molecule compound

8-[bis(4-methylphenyl)methylidene]-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL384076
SMILES Cc1ccc(cc1)/C(=C\1/C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)[N+](=O)[O-])/c1ccc(cc1)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 C30H24N2O4 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O4/c1-17-6-10-19(11-7-17)25(20-12-8-18(2)9-13-20)26-23-14-15-24(26)28-27(23)29(33)31(30(28)34)21-4-3-5-22(16-21)32(35)36/h3-16,23-24,27-28H,1-2H3
InChIKey
YGDZDAKMZZBZKW-UHFFFAOYSA-N
Synonyms

8(bis(4methylphenyl)methylidene)2(3nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=C(C=C6)C
Cc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)C
InChI=1SC30H24N2O4c11761019(11717)25(2012818(2)91320)2623141524(26)2827(23)29(33)31(30(28)34)2143522(1621)32(35)36h31623242728H12H3
MFCD03993020
ZINC000101348668
ZINC000244884143

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Available files

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