Vitas-M small molecule compound
ethyl 4-{4-[(2-chlorobenzyl)oxy]phenyl}-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK784347
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)OCc1ccccc1Cl)C#N)n1cccc1
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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 C27H23ClN2O4 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O4/c1-3-32-27(31)24-18(2)34-26(30-14-6-7-15-30)22(16-29)25(24)19-10-12-21(13-11-19)33-17-20-8-4-5-9-23(20)28/h4-15,25H,3,17H2,1-2H3InChIKey
HKAZHKYHRGNCHI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)C#N)N4C=CC=C4)C
ethyl4(4((2chlorobenzyl)oxy)phenyl)5cyano2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL4(4((2CHLOROPHENYL)METHOXY)PHENYL)5CYANO2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC27H23ClN2O4c133227(31)2418(2)3426(3014671530)22(1629)25(24)19101221(131119)331720845923(20)28h41525H317H212H3
MFCD07021918
ZINC000012412749
ZINC000012412751
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