Vitas-M small molecule compound

methyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate

Catalog ID
STK783489
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)O)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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-12-17(20(24)26-3)18(13-6-7-15(23)16(10-13)25-2)14(11-21)19(27-12)22-8-4-5-9-22/h4-10,18,23H,1-3H3
InChIKey
MQVWSMKBKBGEGE-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(O1)N2C=CC=C2)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OC
InChI=1SC20H18N2O5c11217(20(24)263)18(136715(23)16(1013)252)14(1121)19(2712)22845922h4101823H13H3
methyl5cyano4(4hydroxy3methoxyphenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
METHYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
MFCD06618313
ZINC000004751337
ZINC000004751338

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Available files

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