Vitas-M small molecule compound
2-(dicyanomethylidene)-4-imino-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Catalog ID
STL434769
SMILES COc1c(OC)cc(cc1OC)C1C2(C1(C#N)C(=N)NC2=C(C#N)C#N)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 C19H14N6O3 MW 374.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N6O3/c1-26-12-4-10(5-13(27-2)14(12)28-3)15-18(8-22)16(11(6-20)7-21)25-17(24)19(15,18)9-23/h4-5,15H,1-3H3,(H2,24,25)InChIKey
YNFJPQXKUNZAME-UHFFFAOYSA-NSynonyms
2(dicyanomethylidene)4imino6(345trimethoxyphenyl)3azabicyclo(310)hexane15dicarbonitrile
2amino4(dicyanomethylidene)6(345trimethoxyphenyl)3azabicyclo(310)hex2ene15dicarbonitrile
COC1=CC(=CC(=C1OC)OC)C2C3(C2(C(=NC3=C(C#N)C#N)N)C#N)C#N
InChI=1SC19H14N6O3c12612410(513(272)14(12)283)1518(822)16(11(620)721)2517(24)19(1518)923h4515H13H3(H22425)
MFCD30711398
ZINC000253471738
ZINC000253471745
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