Vitas-M small molecule compound

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

Catalog ID
STK783730
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)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 C19H16N2O4 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O4/c1-12-16(19(23)24-2)17(13-5-7-14(22)8-6-13)15(11-20)18(25-12)21-9-3-4-10-21/h3-10,17,22H,1-2H3
InChIKey
IHLZXERAPQZXSO-UHFFFAOYSA-N
Synonyms
CC1=C(C(C(=C(O1)N2C=CC=C2)C#N)C3=CC=C(C=C3)O)C(=O)OC
methyl5cyano4(4hydroxyphenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
METHYL5CYANO4(4HYDROXYPHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
Registry IDs
MFCD06618881
ZINC000004751945
ZINC000004751947

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Available files

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