Vitas-M small molecule compound
2-amino-4-(4-hydroxy-3,5-dinitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Catalog ID
STK038319
SMILES N#CC1=C(N)Oc2c(C1c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)c(=O)oc(c2)C
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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 C16H10N4O8 MW 386.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N4O8/c1-6-2-11-13(16(22)27-6)12(8(5-17)15(18)28-11)7-3-9(19(23)24)14(21)10(4-7)20(25)26/h2-4,12,21H,18H2,1H3InChIKey
MJAQRZLYKIKREU-UHFFFAOYSA-NSynonyms
2AMINO4(4HYDROXY35DINITROPHENYL)7METHYL5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2AMINO4(4HYDROXY35DINITROPHENYL)7METHYL5OXO4HPYRANO(32C)PYRAN3CARBONITRILE
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)(N+)(=O)(O))O)(N+)(=O)(O))C(=O)O1
InChI=1SC16H10N4O8c1621113(16(22)276)12(8(517)15(18)2811)739(19(23)24)14(21)10(47)20(25)26h241221H18H21H3
MFCD08050570
N#CC1=C(N)Oc2c(C1c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))O)c(=O)oc(c2)C
STK038319
ZINC000009299684
ZINC000009299685
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