Vitas-M small molecule compound

methyl 2-amino-4-(2-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate

Catalog ID
STK235068
SMILES COC(=O)C1=C(N)Oc2c(C1c1ccccc1Cl)oc(cc2=O)CO

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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 C17H14ClNO6 MW 363.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO6/c1-23-17(22)13-12(9-4-2-3-5-10(9)18)15-14(25-16(13)19)11(21)6-8(7-20)24-15/h2-6,12,20H,7,19H2,1H3
InChIKey
WHYIAIPWMMACBH-UHFFFAOYSA-N
Synonyms
825602-70-8
825602708
COC(=O)C1=C(OC2=C(C1C3=CC=CC=C3Cl)OC(=CC2=O)CO)N
InChI=1SC17H14ClNO6c12317(22)1312(9423510(9)18)1514(2516(13)19)11(21)68(720)2415h261220H719H21H3
methyl2amino4(2chlorophenyl)6(hydroxymethyl)8oxo48dihydropyrano(32b)pyran3carboxylate
METHYL2AMINO4(2CHLOROPHENYL)6(HYDROXYMETHYL)8OXO4HPYRANO(32B)PYRAN3CARBOXYLATE
MFCD06590078
ZINC000004655535
ZINC000004655536

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Available files

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