Vitas-M small molecule compound
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Catalog ID
STK764913
SMILES CCOc1cc(cc(c1OC(=O)N1CCOCC1)[N+](=O)[O-])C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N
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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 C23H22N4O9 MW 498.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O9/c1-3-33-17-10-13(9-15(27(30)31)20(17)36-23(29)26-4-6-32-7-5-26)18-14(11-24)21(25)35-16-8-12(2)34-22(28)19(16)18/h8-10,18H,3-7,25H2,1-2H3InChIKey
VZRWXQXMZOHVRJ-UHFFFAOYSA-NSynonyms
(4(2AMINO3CYANO7METHYL5OXO4HPYRANO(32C)PYRAN4YL)2ETHOXY6NITROPHENYL)MORPHOLINE4CARBOXYLATE
4(2amino3cyano7methyl5oxo4H5Hpyrano(43b)pyran4yl)2ethoxy6nitrophenylmorpholine4carboxylate
CCOC1=CC(=CC(=C1OC(=O)N2CCOCC2)(N+)(=O)(O))C3C(=C(OC4=C3C(=O)OC(=C4)C)N)C#N
CCOc1cc(cc(c1OC(=O)N1CCOCC1)(N+)(=O)(O))C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N
InChI=1SC23H22N4O9c1333171013(915(27(30)31)20(17)3623(29)2646327526)1814(1124)21(25)3516812(2)3422(28)19(16)18h81018H3725H212H3
MFCD03035409
ZINC000003672401
ZINC000003672402
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