Vitas-M small molecule compound

2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile

Catalog ID
STK007831
SMILES N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(=O)oc(c2)C

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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 C16H11ClN2O3 MW 314.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O3/c1-8-6-12-14(16(20)21-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,13H,19H2,1H3
InChIKey
NXJIUFBSYJBPKQ-UHFFFAOYSA-N
Synonyms
220986-34-5
220986345
2amino4(2chlorophenyl)7methyl5oxo45dihydropyrano(43b)pyran3carbonitrile
2AMINO4(2CHLOROPHENYL)7METHYL5OXO4H5HPYRANO(32C)PYRAN3CARBONITRILE
2AMINO4(2CHLOROPHENYL)7METHYL5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2AMINO4(2CHLOROPHENYL)7METHYL5OXO4HPYRANO(32C)PYRAN3CARBONITRILE
4H5HPYRANO(43B)PYRAN3CARBONITRILE2AMINO4(2CHLOROPHENYL)7METHYL5OXO
4H5HPYRANO(43B)PYRAN3CARBONITRILE2AMINO47METHYL5OXO
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)O1
InChI=1SC16H11ClN2O3c1861214(16(20)218)13(10(718)15(19)2212)9423511(9)17h2613H19H21H3
MFCD00543719
N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(=O)oc(c2)C
STK007831
ZINC000000196810
ZINC000000196812

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Available files

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