Vitas-M small molecule compound
2-amino-4-(2-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK788455
SMILES N#CC1=C(N)OC2=C(C1c1ccccc1[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/c17-8-10-14(9-4-1-2-5-11(9)19(21)22)15-12(20)6-3-7-13(15)23-16(10)18/h1-2,4-5,14H,3,6-7,18H2InChIKey
HBVIIHANKJLMMD-UHFFFAOYSA-NSynonyms
315245-18-22amino4(2nitrophenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(2nitrophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
315245182
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3(N+)(=O)(O))C(=O)C1
InChI=1SC16H13N3O4c1781014(9412511(9)19(21)22)1512(20)63713(15)2316(10)18h124514H36718H2
MFCD00551382
N#CC1=C(N)OC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CCC2
ZINC000000070980
ZINC000000070981
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