Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK955803
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OCc1c(C)cc(cc1C)C)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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-7-32-27(30)24-18(5)34-26(29)20(13-28)25(24)19-8-9-22(23(12-19)31-6)33-14-21-16(3)10-15(2)11-17(21)4/h8-12,25H,7,14,29H2,1-6H3InChIKey
LDIBIAAKWQUTJG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OCC3=C(C=C(C=C3C)C)C)OC)C#N)N)C
ethyl6amino5cyano4(3methoxy4((246trimethylbenzyl)oxy)phenyl)2methyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(3METHOXY4((246TRIMETHYLPHENYL)METHOXY)PHENYL)2METHYL4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO4(4(MESITYLMETHOXY)3METHOXYPHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC27H30N2O5c173227(30)2418(5)3426(29)20(1328)25(24)198922(23(1219)316)33142116(3)1015(2)1117(21)4h81225H71429H216H3
MFCD02604766
ZINC000000648235
ZINC000000648237
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