Vitas-M small molecule compound
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Catalog ID
STK099231
SMILES N#CC1=C(N)Oc2c(C1c1cc(OC)c3c(c1)OCO3)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 C18H14N2O6 MW 354.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6/c1-8-3-11-15(18(21)25-8)14(10(6-19)17(20)26-11)9-4-12(22-2)16-13(5-9)23-7-24-16/h3-5,14H,7,20H2,1-2H3InChIKey
LEMYLEOOQWKHGO-UHFFFAOYSA-NSynonyms
354554-45-32AMINO4(7METHOXY13BENZODIOXOL5YL)7METHYL5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2amino4(7methoxy13benzodioxol5yl)7methyl5oxo4Hpyrano(32c)pyran3carbonitrile
2amino4(7methoxybenzo(d)(13)dioxol5yl)7methyl5oxo45dihydropyrano(43b)pyran3carbonitrile
354554453
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C(=O)O1
InChI=1SC18H14N2O6c1831115(18(21)258)14(10(619)17(20)2611)9412(222)1613(59)2372416h3514H720H212H3
MFCD00581687
N#CC1=C(N)Oc2c(C1c1cc(OC)c3c(c1)OCO3)c(=O)oc(c2)C
STK099231
ZINC000000808892
ZINC000002493374
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