Vitas-M small molecule compound
ethyl 6-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL173085
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)Cl)C#N)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 C23H20ClN3O6 MW 469.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O6/c1-3-31-23(28)20-13(2)33-22(26)17(11-25)21(20)15-6-9-19(18(10-15)27(29)30)32-12-14-4-7-16(24)8-5-14/h4-10,21H,3,12,26H2,1-2H3InChIKey
PRCJFTHGMTWAKM-UHFFFAOYSA-NSynonyms
398136-34-0398136340
CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)Cl)C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)(N+)(=O)(O))C#N)N)C
ethyl6amino4(4((4chlorobenzyl)oxy)3nitrophenyl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(4((4CHLOROPHENYL)METHOXY)3NITROPHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC23H20ClN3O6c133123(28)2013(2)3322(26)17(1125)21(20)156919(18(1015)27(29)30)3212144716(24)8514h41021H31226H212H3
MFCD02175166
ZINC000001085017
ZINC000001085018
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