Vitas-M small molecule compound
2-[(E)-2-(benzylamino)-1-nitroethenyl]cyclohexa-2,5-diene-1,4-dione
Catalog ID
STK534504
SMILES O=C1C=CC(=O)C=C1/C(=C\NCc1ccccc1)/[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 C15H12N2O4 MW 284.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O4/c18-12-6-7-15(19)13(8-12)14(17(20)21)10-16-9-11-4-2-1-3-5-11/h1-8,10,16H,9H2/b14-10+InChIKey
WFVASBKHAATHJM-GXDHUFHOSA-NSynonyms
134387-69-2(E)2(2(benzylamino)1nitrovinyl)cyclohexa25diene14dione
134387692
2((E)2(benzylamino)1nitroethenyl)cyclohexa25diene14dione
C1=CC=C(C=C1)CNC=C(C2=CC(=O)C=CC2=O)(N+)(=O)(O)
InChI=1SC15H12N2O4c18126715(19)13(812)14(17(20)21)10169114213511h181016H9H2b1410+
MFCD01947020
O=C1C=CC(=O)C=C1C(=CNCc1ccccc1)(N+)(=O)(O)
ZINC000100472859
ZINC100472859
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