Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-4-yl]benzoate
Catalog ID
STK850678
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1oc(CO)cc2=O)C#N
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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 C18H14N2O6 MW 354.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6/c1-24-18(23)10-4-2-9(3-5-10)14-12(7-19)17(20)26-15-13(22)6-11(8-21)25-16(14)15/h2-6,14,21H,8,20H2,1H3InChIKey
ZBYZNEHXVYKERD-UHFFFAOYSA-NSynonyms
665000-35-1665000351
COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N
InChI=1SC18H14N2O6c12418(23)10429(3510)1412(719)17(20)261513(22)611(821)2516(14)15h261421H820H21H3
METHYL4(2AMINO3CYANO6(HYDROXYMETHYL)8OXO48DIHYDROPYRANO(32B)PYRAN4YL)BENZENECARBOXYLATE
methyl4(2amino3cyano6(hydroxymethyl)8oxo48dihydropyrano(32b)pyran4yl)benzoate
METHYL4(2AMINO3CYANO6(HYDROXYMETHYL)8OXO4HPYRANO(32B)PYRAN4YL)BENZOATE
MFCD03863419
ZINC000000664269
ZINC000000664271
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