Vitas-M small molecule compound

2-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STK526536
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)(C#N)C#N

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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 C26H25N7O3 MW 483.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N7O3/c1-15-24(33(34)35)16(2)32(31-15)12-18-10-17(8-9-22(18)36-3)23-20-7-5-4-6-19(20)21(11-27)25(30)26(23,13-28)14-29/h6,8-10,20,23H,4-5,7,12,30H2,1-3H3
InChIKey
HWFNQCNBHDTFTE-UHFFFAOYSA-N
Synonyms
302904-00-3
2amino4(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2AMINO4(3((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
302904003
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)OC)C)(N+)(=O)(O)
InChI=1SC26H25N7O3c11524(33(34)35)16(2)32(3115)12181017(8922(18)363)2320754619(20)21(1127)25(30)26(231328)1429h68102023H4571230H213H3
MFCD01450855
N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)OC)(C#N)C#N
ZINC000002082109
ZINC000002082112

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Available files

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