Vitas-M small molecule compound
[(2,6-dinitro-3'-oxo-3',4'-dihydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,2'-quinoxalin]-4-ylidene)(oxido)-lambda~5~-azanyl]oxidanide
Catalog ID
STK870431
SMILES [O-][N+](=O)C1=CC(=[N+]([O-])[O-])C=C(C21Nc1ccccc1NC2=O)[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 C13H8N5O7 MW 346.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N5O7/c19-12-13(15-9-4-2-1-3-8(9)14-12)10(17(22)23)5-7(16(20)21)6-11(13)18(24)25/h1-6,15H,(H-,14,19,20,21)/q-1InChIKey
XIBVNYGNKYJJSH-UHFFFAOYSA-NSynonyms
((26dinitro3oxo34dihydro1H4Hspiro(cyclohexa25diene12quinoxalin)4ylidene)(oxido)lambda~5~azanyl)oxidanide
((26DINITRO3OXO34DIHYDRO1H4HSPIRO(CYCLOHEXA25DIENE12QUINOXALIN)4YLIDENE)(OXIDO)LAMBDA5AZANYL)OXIDANIDE
(35DINITRO3OXOSPIRO(14DIHYDROQUINOXALINE24CYCLOHEXA25DIENE)1YLIDENE)DIOXIDOAZANIUM
(O)(N+)(=O)C1=CC(=(N+)((O))(O))C=C(C21Nc1ccccc1NC2=O)(N+)(=O)(O)
C1=CC=C2C(=C1)NC(=O)C3(N2)C(=CC(=(N+)((O))(O))C=C3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H8N5O7c191213(15942138(9)1412)10(17(22)23)57(16(20)21)611(13)18(24)25h1615H(H14192021)q1
ZINC000033354445
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