Vitas-M small molecule compound
2-amino-6-(1,3-benzodioxol-5-yl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Catalog ID
STK523715
SMILES N#CC12C(C2(C#N)C(=NC1(OC)OC)N)c1ccc2c(c1)OCO2
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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 C16H14N4O4 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4/c1-21-16(22-2)15(7-18)12(14(15,6-17)13(19)20-16)9-3-4-10-11(5-9)24-8-23-10/h3-5,12H,8H2,1-2H3,(H2,19,20)InChIKey
PNKPXOCANVHXSM-UHFFFAOYSA-NSynonyms
2amino6(13benzodioxol5yl)44dimethoxy3azabicyclo(310)hex2ene15dicarbonitrile
4AMINO6(13BENZODIOXOL5YL)22DIMETHOXY3AZABICYCLO(310)HEX3ENE15DICARBONITRILE
4AZANYL6(13BENZODIOXOL5YL)22DIMETHOXY3AZABICYCLO(310)HEX3ENE15DICARBONITRILE
COC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3)OCO4)C#N)OC
InChI=1SC16H14N4O4c12116(222)15(718)12(14(15617)13(19)2016)9341011(59)2482310h3512H8H212H3(H21920)
MFCD04096790
ZINC000053253902
ZINC000102977785
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