Vitas-M small molecule compound
2-amino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Catalog ID
STK693237
SMILES N#CC1=C(N)Oc2c(C1c1cc(OC)c3c(c1OC)OCO3)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 C19H16N2O8 MW 400.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O8/c1-24-12-4-9(14(25-2)18-16(12)26-7-27-18)13-10(5-20)19(21)29-15-11(23)3-8(6-22)28-17(13)15/h3-4,13,22H,6-7,21H2,1-2H3InChIKey
CGTONIUUYIZXLQ-UHFFFAOYSA-NSynonyms
2AMINO4(47DIMETHOXY(2HBENZO(D)13DIOXOLEN5YL))6(HYDROXYMETHYL)8OXO4HPYRANO(32B)PYRAN3CARBONITRILE
2amino4(47dimethoxy13benzodioxol5yl)6(hydroxymethyl)8oxo48dihydropyrano(32b)pyran3carbonitrile
2amino4(47dimethoxy13benzodioxol5yl)6(hydroxymethyl)8oxo4Hpyrano(32b)pyran3carbonitrile
COC1=C2C(=C(C(=C1)C3C(=C(OC4=C3OC(=CC4=O)CO)N)C#N)OC)OCO2
InChI=1SC19H16N2O8c1241249(14(252)1816(12)2672718)1310(520)19(21)291511(23)38(622)2817(13)15h341322H6721H212H3
MFCD10039333
ZINC000015106061
ZINC000015106064
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