Vitas-M small molecule compound
2-({(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280751
SMILES O=C1N(/N=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1CCC2C=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/c1-12-2-3-15(10-17(12)25(28)29)18-9-8-16(30-18)11-23-24-21(26)19-13-4-5-14(7-6-13)20(19)22(24)27/h2-5,8-11,13-14,19-20H,6-7H2,1H3/b23-11+InChIKey
CELONTQVWDTBAW-FOKLQQMPSA-NSynonyms
2(((E)(5(4methyl3nitrophenyl)furan2yl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
CC1=C(C=C(C=C1)C2=CC=C(O2)C=NN3C(=O)C4C5CCC(C4C3=O)C=C5)(N+)(=O)(O)
InChI=1SC22H19N3O5c1122315(1017(12)25(28)29)189816(3018)11232421(26)19134514(7613)20(19)22(24)27h2581113141920H67H21H3b2311+
MFCD02276826
O=C1N(N=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1CCC2C=C1
ZINC000100178638
ZINC000105213027
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