Vitas-M small molecule compound
methyl 6-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK955992
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(COc2ccc(cc2Cl)F)c(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 C24H22ClFN2O4 MW 456.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClFN2O4/c1-12-7-13(2)17(8-15(12)11-31-20-6-5-16(26)9-19(20)25)22-18(10-27)23(28)32-14(3)21(22)24(29)30-4/h5-9,22H,11,28H2,1-4H3InChIKey
LFNMBDADGQBTGJ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N)COC3=C(C=C(C=C3)F)Cl)C
InChI=1SC24H22ClFN2O4c112713(2)17(815(12)1131206516(26)919(20)25)2218(1027)23(28)3214(3)21(22)24(29)304h5922H1128H214H3
methyl6amino4(5((2chloro4fluorophenoxy)methyl)24dimethylphenyl)5cyano2methyl4Hpyran3carboxylate
MFCD03312611
ZINC000000650570
ZINC000000650571
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