Vitas-M small molecule compound

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

Catalog ID
STL320777
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)c(C)nn2c1ccccc1

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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 C27H25N7O4 MW 511.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O4/c1-15-23-24(21(13-28)26(29)38-27(23)33(31-15)20-8-6-5-7-9-20)18-10-11-22(37-4)19(12-18)14-32-17(3)25(34(35)36)16(2)30-32/h5-12,24H,14,29H2,1-4H3
InChIKey
QQMUWENQYHHSEE-UHFFFAOYSA-N
Synonyms
370872-26-7
370872267
6amino4(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)3methyl1phenyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)3METHYL1PHENYL4HPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(3((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)3METHYL1PHENYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(3(35DIMETHYL4NITROPYRAZOL1YLMETHYL)4METHOXYPHENYL)3METHYL1PHENYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=NN4C5=CC=CC=C5)C)N)C#N)OC)C)(N+)(=O)(O)
InChI=1SC27H25N7O4c1152324(21(1328)26(29)3827(23)33(3115)208657920)18101122(374)19(1218)143217(3)25(34(35)36)16(2)3032h51224H1429H214H3
MFCD01244387
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)OC)c(C)nn2c1ccccc1
ZINC000000649875
ZINC000008456623

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Available files

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