Vitas-M small molecule compound
2-(benzylamino)-5-nitrocyclohepta-2,4,6-trien-1-one
Catalog ID
STL324971
SMILES O=c1ccc(ccc1NCc1ccccc1)[N+](=O)[O-]
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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 C14H12N2O3 MW 256.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O3/c17-14-9-7-12(16(18)19)6-8-13(14)15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)InChIKey
BPGAUMLTKSOLDH-UHFFFAOYSA-NSynonyms
332177-87-42(benzylamino)5nitrocyclohepta246trien1one
2(benzylamino)5nitrocyclohepta246trienone
332177874
C1=CC=C(C=C1)CNC2=CC=C(C=CC2=O)(N+)(=O)(O)
InChI=1SC14H12N2O3c17149712(16(18)19)6813(14)1510114213511h19H10H2(H1517)
MFCD01852957
O=c1ccc(ccc1NCc1ccccc1)(N+)(=O)(O)
ZINC000004826664
ZINC04826664
ZINC4826664
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