Vitas-M small molecule compound
2-({(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280786
SMILES Brc1ccc(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 C21H16BrN3O5 MW 470.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O5/c22-13-5-7-15(16(9-13)25(28)29)17-8-6-14(30-17)10-23-24-20(26)18-11-1-2-12(4-3-11)19(18)21(24)27/h1-2,5-12,18-19H,3-4H2/b23-10+InChIKey
YAROWSTZZMIUBT-AUEPDCJTSA-NSynonyms
2(((E)(5(4bromo2nitrophenyl)furan2yl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
Brc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Br)(N+)(=O)(O)
InChI=1SC21H16BrN3O5c22135715(16(913)25(28)29)178614(3017)10232420(26)18111212(4311)19(18)21(24)27h125121819H34H2b2310+
MFCD01173630
ZINC000100182596
ZINC000105214653
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