Vitas-M small molecule compound
methyl 2-amino-4-(3-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate
Catalog ID
STK235058
SMILES COC(=O)C1=C(N)Oc2c(C1c1cccc(c1)Cl)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(8-3-2-4-9(18)5-8)15-14(25-16(13)19)11(21)6-10(7-20)24-15/h2-6,12,20H,7,19H2,1H3InChIKey
NNKCTWSBPSKOIA-UHFFFAOYSA-NSynonyms
879624-18-7879624187
COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Cl)OC(=CC2=O)CO)N
InChI=1SC17H14ClNO6c12317(22)1312(83249(18)58)1514(2516(13)19)11(21)610(720)2415h261220H719H21H3
methyl2amino4(3chlorophenyl)6(hydroxymethyl)8oxo48dihydropyrano(32b)pyran3carboxylate
methyl2amino4(3chlorophenyl)6(hydroxymethyl)8oxo4Hpyrano(32b)pyran3carboxylate
MFCD07652161
ZINC000004855320
ZINC000004855321
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