Vitas-M small molecule compound
2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK870481
SMILES N#CC1=C(N)OC2=C(C1c1cccc(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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c17-8-11-14(9-3-1-4-10(7-9)19(21)22)15-12(20)5-2-6-13(15)23-16(11)18/h1,3-4,7,14H,2,5-6,18H2InChIKey
ZCQIPFHEMXKQFZ-UHFFFAOYSA-NSynonyms
156176-89-5156176895
2amino4(3nitrophenyl)5oxo4678tetrahydrochromene3carbonitrile
2AMINO4(3NITROPHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(3nitrophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C1
InChI=1SC16H13N3O4c1781114(931410(79)19(21)22)1512(20)52613(15)2316(11)18h134714H25618H2
MFCD00551383
N#CC1=C(N)OC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2
ZINC000000196630
ZINC000000196633
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