Vitas-M small molecule compound
2-({(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280896
SMILES O=C1C2C3CCC(C2C(=O)N1/N=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])C=C3
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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 C21H16ClN3O5 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O5/c22-16-7-5-13(25(28)29)9-15(16)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
KBOUVPHBLTYJCY-AUEPDCJTSA-NSynonyms
2(((E)(5(2chloro5nitrophenyl)furan2yl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=C(O4)C5=C(C=CC(=C5)(N+)(=O)(O))Cl
InChI=1SC21H16ClN3O5c22167513(25(28)29)915(16)178614(3017)10232420(26)18111212(4311)19(18)21(24)27h125121819H34H2b2310+
MFCD00826147
O=C1C2C3CCC(C2C(=O)N1N=Cc1ccc(o1)c1cc(ccc1Cl)(N+)(=O)(O))C=C3
ZINC000100052907
ZINC000229968916
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