Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173723
SMILES N#CC1=C(N)OC2=C(C1c1ccc(o1)COc1ccccc1[N+](=O)[O-])C(=O)CC(C2)(C)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 C23H21N3O6 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6/c1-23(2)9-16(27)21-19(10-23)32-22(25)14(11-24)20(21)18-8-7-13(31-18)12-30-17-6-4-3-5-15(17)26(28)29/h3-8,20H,9-10,12,25H2,1-2H3InChIKey
WQCNNCWEEWKJER-UHFFFAOYSA-NSynonyms
445242-57-92amino77dimethyl4(5((2nitrophenoxy)methyl)furan2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL4(5((2NITROPHENOXY)METHYL)FURAN2YL)5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
445242579
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)COC4=CC=CC=C4(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H21N3O6c123(2)916(27)2119(1023)3222(25)14(1124)20(21)188713(3118)123017643515(17)26(28)29h3820H9101225H212H3
MFCD02244039
N#CC1=C(N)OC2=C(C1c1ccc(o1)COc1ccccc1(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000001003368
ZINC000001003369
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