Vitas-M small molecule compound
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK754105
SMILES N#CC1=C(N)OC2=C(C1c1cc(ccc1Cl)[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 C16H12ClN3O4 MW 345.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O4/c17-11-5-4-8(20(22)23)6-9(11)14-10(7-18)16(19)24-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,19H2InChIKey
NCROOISRKDCTFQ-UHFFFAOYSA-NSynonyms
311333-52-52amino4(2chloro5nitrophenyl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(2chloro5nitrophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
311333525
C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)C1
InChI=1SC16H12ClN3O4c1711548(20(22)23)69(11)1410(718)16(19)241331212(21)15(13)14h4614H1319H2
MFCD00825132
N#CC1=C(N)OC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2
ZINC000000062505
ZINC000000062506
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