Vitas-M small molecule compound
2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Catalog ID
STK747530
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C16H10ClN3O5 MW 359.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClN3O5/c1-7-4-12-14(16(21)24-7)13(9(6-18)15(19)25-12)8-2-3-10(17)11(5-8)20(22)23/h2-5,13H,19H2,1H3InChIKey
AURMXPOPZYMGQV-UHFFFAOYSA-NSynonyms
309926-41-82amino4(4chloro3nitrophenyl)7methyl5oxo4H5Hpyrano(43b)pyran3carbonitrile
2AMINO4(4CHLORO3NITROPHENYL)7METHYL5OXO4HPYRANO(32C)PYRAN3CARBONITRILE
309926418
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)O1
InChI=1SC16H10ClN3O5c1741214(16(21)247)13(9(618)15(19)2512)82310(17)11(58)20(22)23h2513H19H21H3
MFCD00742431
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)(N+)(=O)(O))Cl)c(=O)oc(c2)C
ZINC000000714324
ZINC000000714325
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