Vitas-M small molecule compound
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK746525
SMILES N#CC1=C(N)OC2=C(C1c1scc(c1)[N+](=O)[O-])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 C14H11N3O4S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O4S/c15-5-8-12(11-4-7(6-22-11)17(19)20)13-9(18)2-1-3-10(13)21-14(8)16/h4,6,12H,1-3,16H2InChIKey
PLNLYYUAGBLLSG-UHFFFAOYSA-NSynonyms
2amino4(4nitrothiophen2yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(4nitrothiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)(N+)(=O)(O))C(=O)C1
InChI=1SC14H11N3O4Sc155812(1147(62211)17(19)20)139(18)21310(13)2114(8)16h4612H1316H2
MFCD00472858
N#CC1=C(N)OC2=C(C1c1scc(c1)(N+)(=O)(O))C(=O)CCC2
ZINC000000058328
ZINC000000058329
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