Vitas-M small molecule compound
ethyl 6-amino-4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL416756
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)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 C25H25BrN2O5 MW 513.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O5/c1-5-31-25(29)21-15(3)33-24(28)18(12-27)22(21)17-10-19(26)23(20(11-17)30-4)32-13-16-8-6-14(2)7-9-16/h6-11,22H,5,13,28H2,1-4H3InChIKey
SAOFGCKDMRKORK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)C)OC)C#N)N)C
ethyl6amino4(3bromo5methoxy4((4methylbenzyl)oxy)phenyl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(3BROMO5METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC25H25BrN2O5c153125(29)2115(3)3324(28)18(1227)22(21)171019(26)23(20(1117)304)3213168614(2)7916h61122H51328H214H3
MFCD04151856
ZINC000000639264
ZINC000000639267
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