Vitas-M small molecule compound
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
Catalog ID
STK746816
SMILES N#CC1=C(N)Oc2c(C1c1scc(c1)[N+](=O)[O-])c(=O)oc1c2cccc1
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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 C17H9N3O5S MW 367.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9N3O5S/c18-6-10-13(12-5-8(7-26-12)20(22)23)14-15(25-16(10)19)9-3-1-2-4-11(9)24-17(14)21/h1-5,7,13H,19H2InChIKey
PRJQAGYKKWMYQS-UHFFFAOYSA-NSynonyms
2amino4(4nitrothiophen2yl)5oxo4H5Hpyrano(32c)chromene3carbonitrile
2AMINO4(4NITROTHIOPHEN2YL)5OXO4HPYRANO(32C)CHROMENE3CARBONITRILE
C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC(=CS4)(N+)(=O)(O))C(=O)O2
InChI=1SC17H9N3O5Sc1861013(1258(72612)20(22)23)1415(2516(10)19)9312411(9)2417(14)21h15713H19H2
MFCD00473097
N#CC1=C(N)Oc2c(C1c1scc(c1)(N+)(=O)(O))c(=O)oc1c2cccc1
ZINC000002500606
ZINC000002500607
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