Vitas-M small molecule compound

methyl 6-amino-5-cyano-4-{5-[(2,4-difluorophenoxy)methyl]furan-2-yl}-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK960965
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(o1)COc1ccc(cc1F)F)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 C20H16F2N2O5 MW 402.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F2N2O5/c1-10-17(20(25)26-2)18(13(8-23)19(24)28-10)16-6-4-12(29-16)9-27-15-5-3-11(21)7-14(15)22/h3-7,18H,9,24H2,1-2H3
InChIKey
NHCWVYSOEPOOHY-UHFFFAOYSA-N
Synonyms
445232-09-7
445232097
CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(O2)COC3=C(C=C(C=C3)F)F)C(=O)OC
InChI=1SC20H16F2N2O5c11017(20(25)262)18(13(823)19(24)2810)166412(2916)927155311(21)714(15)22h3718H924H212H3
methyl6amino5cyano4(5((24difluorophenoxy)methyl)furan2yl)2methyl4Hpyran3carboxylate
MFCD02243612
ZINC000002769457
ZINC000002769458

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.