Vitas-M small molecule compound

methyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

Catalog ID
STK081949
SMILES COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)OC

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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 C19H20N2O7 MW 388.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O7/c1-24-12-6-5-10(7-13(12)25-2)16-11(9-20)18(21)28-14(8-15(22)26-3)17(16)19(23)27-4/h5-7,16H,8,21H2,1-4H3
InChIKey
VXKAMWFJGDAYGZ-UHFFFAOYSA-N
Synonyms
371215-39-3
371215393
COC(=O)CC1=C(C(=O)OC)C(C(=C(O1)N)C#N)c1ccc(c(c1)OC)OC
COC1=C(C=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)OC
InChI=1SC19H20N2O7c124126510(713(12)252)1611(920)18(21)2814(815(22)263)17(16)19(23)274h5716H821H214H3
METHYL6AMINO5CYANO4(34DIMETHOXYPHENYL)2(2METHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
MFCD01605403
STK081949
ZINC000000808911
ZINC000000808912

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Available files

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