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6-amino-4-{4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK027290
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1cnc(n1)[N+](=O)[O-])OC)c(C)n[nH]2

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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 C18H16N8O4 MW 408.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N8O4/c1-9-14-15(12(6-19)16(20)30-17(14)23-22-9)10-3-4-13(29-2)11(5-10)7-25-8-21-18(24-25)26(27)28/h3-5,8,15H,7,20H2,1-2H3,(H,22,23)
InChIKey
ZCIJYZWIMAQWQX-UHFFFAOYSA-N
Synonyms
443917-57-5
(4R)6AMINO4(4METHOXY3((3NITRO1H124TRIAZOL1YL)METHYL)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
(4S)6AMINO4(4METHOXY3((3NITRO1H124TRIAZOL1YL)METHYL)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
443917575
6AMINO4(3((3NITRO1H124TRIAZOL1YL)METHYL)4METHOXYPHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4METHOXY3((3NITRO124TRIAZOL1YL)METHYL)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4METHOXY3((3NITRO1H124TRIAZOL1YL)METHYL)PHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4METHOXY3((3NITRO1H124TRIAZOL1YL)METHYL)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C=NC(=N4)(N+)(=O)(O)
InChI=1SC18H16N8O4c191415(12(619)16(20)3017(14)23229)103413(292)11(510)72582118(2425)26(27)28h35815H720H212H3(H2223)
MFCD02631373
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1cnc(n1)(N+)(=O)(O))OC)c(C)n(nH)2
STK027290
ZINC000005358767
ZINC000005358771
ZINC05358767

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Available files

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