Vitas-M small molecule compound

2-amino-6-(2-chloro-5-nitrophenyl)-4,4-dimethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Catalog ID
STK684530
SMILES N#CC12C(C2(C#N)C(=NC1(OC)OC)N)c1cc(ccc1Cl)[N+](=O)[O-]

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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 C15H12ClN5O4 MW 361.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClN5O4/c1-24-15(25-2)14(7-18)11(13(14,6-17)12(19)20-15)9-5-8(21(22)23)3-4-10(9)16/h3-5,11H,1-2H3,(H2,19,20)
InChIKey
KIBRMZOKICFEAU-UHFFFAOYSA-N
Synonyms

(1S5R6S)2AMINO6(2CHLORO5NITROPHENYL)44DIMETHOXY3AZABICYCLO(310)HEX2ENE15DICARBONITRILE
2amino6(2chloro5nitrophenyl)44dimethoxy3azabicyclo(310)hex2ene15dicarbonitrile
4amino6(2chloro5nitrophenyl)22dimethoxy3azabicyclo(310)hex3ene15dicarbonitrile
COC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C#N)OC
InChI=1SC15H12ClN5O4c12415(252)14(718)11(13(14617)12(19)2015)958(21(22)23)3410(9)16h3511H12H3(H21920)
MFCD04097168
N#CC12C(C2(C#N)C(=NC1(OC)OC)N)c1cc(ccc1Cl)(N+)(=O)(O)
ZINC000103014408
ZINC000103014417

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Available files

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