Vitas-M small molecule compound
methyl 6-amino-5-cyano-4-(4-fluoro-3-phenoxyphenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
Catalog ID
STL335564
SMILES COCC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)Oc1ccccc1)F
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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 C22H19FN2O5 MW 410.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O5/c1-27-12-18-20(22(26)28-2)19(15(11-24)21(25)30-18)13-8-9-16(23)17(10-13)29-14-6-4-3-5-7-14/h3-10,19H,12,25H2,1-2H3InChIKey
BQGAGJYCNCWSST-UHFFFAOYSA-NSynonyms
499118-53-5499118535
COCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)OC
InChI=1SC22H19FN2O5c127121820(22(26)282)19(15(1124)21(25)3018)138916(23)17(1013)29146435714h31019H1225H212H3
methyl6amino5cyano4(4fluoro3phenoxyphenyl)2(methoxymethyl)4Hpyran3carboxylate
MFCD03302605
ZINC000004952220
ZINC000004952227
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