Vitas-M small molecule compound
2-({(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280724
SMILES Cc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1CCC2C=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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c1-12-2-8-16(17(10-12)25(28)29)18-9-7-15(30-18)11-23-24-21(26)19-13-3-4-14(6-5-13)20(19)22(24)27/h2-4,7-11,13-14,19-20H,5-6H2,1H3/b23-11+InChIKey
OQQJZGLUIDSANQ-FOKLQQMPSA-NSynonyms
2(((E)(5(4methyl2nitrophenyl)furan2yl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
CC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5)(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
InChI=1SC22H19N3O5c1122816(17(1012)25(28)29)189715(3018)11232421(26)19133414(6513)20(19)22(24)27h2471113141920H56H21H3b2311+
MFCD01053531
ZINC000100175672
ZINC000105210981
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