Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK957275
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)C(=O)CCC2
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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 C21H19N5O5 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5/c1-30-17-6-5-12(7-13(17)10-25-11-14(9-24-25)26(28)29)19-15(8-22)21(23)31-18-4-2-3-16(27)20(18)19/h5-7,9,11,19H,2-4,10,23H2,1H3InChIKey
MOUIBJBYHBPEQG-UHFFFAOYSA-NSynonyms
304867-97-82amino4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4methoxy3((4nitropyrazol1yl)methyl)phenyl)5oxo4678tetrahydrochromene3carbonitrile
2AMINO4(4METHOXY3((4NITROPYRAZOLYL)METHYL)PHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
304867978
COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC21H19N5O5c130176512(713(17)10251114(92425)26(28)29)1915(822)21(23)311842316(27)20(18)19h5791119H241023H21H3
MFCD01450859
N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)C(=O)CCC2
ZINC000000995784
ZINC000002738286
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