Vitas-M small molecule compound

2-amino-4-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL325769
SMILES N#CC1=C(N)OC2=C(C1c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CCC2

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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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-11-5-6-12(9-14(11)24(26)27)16-7-8-18(28-16)19-13(10-22)21(23)29-17-4-2-3-15(25)20(17)19/h5-9,19H,2-4,23H2,1H3
InChIKey
ATKGEIDCGDEFNI-UHFFFAOYSA-N
Synonyms
85459-84-3
2amino4(5(4methyl3nitrophenyl)furan2yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(5(4methyl3nitrophenyl)furan2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
85459843
CC1=C(C=C(C=C1)C2=CC=C(O2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)(N+)(=O)(O)
InChI=1SC21H17N3O5c1115612(914(11)24(26)27)167818(2816)1913(1022)21(23)291742315(25)20(17)19h5919H2423H21H3
MFCD01876314
N#CC1=C(N)OC2=C(C1c1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CCC2
ZINC000002271695
ZINC000002271696

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Available files

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