Vitas-M small molecule compound
methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)benzoate
Catalog ID
STK098699
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)oc(c2)C)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 C18H14N2O5 MW 338.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O5/c1-9-7-13-15(18(22)24-9)14(12(8-19)16(20)25-13)10-3-5-11(6-4-10)17(21)23-2/h3-7,14H,20H2,1-2H3InChIKey
BSGWBMPNUFFOED-UHFFFAOYSA-NSynonyms
354554-44-2354554442
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)O1
COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N
InChI=1SC18H14N2O5c1971315(18(22)249)14(12(819)16(20)2513)103511(6410)17(21)232h3714H20H212H3
methyl4(2amino3cyano7methyl5oxo45dihydropyrano(43b)pyran4yl)benzoate
METHYL4(2AMINO3CYANO7METHYL5OXO4H5HPYRANO(43B)PYRAN4YL)BENZOATE
METHYL4(2AMINO3CYANO7METHYL5OXO4HPYRANO(32C)PYRAN4YL)BENZOATE
MFCD01835819
STK098699
ZINC000000499670
ZINC000000499671
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