Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK526772
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])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 C24H21N7O3 MW 455.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N7O3/c1-34-21-7-6-15(8-16(21)11-30-12-17(10-29-30)31(32)33)22-19-5-3-2-4-18(19)20(9-25)23(28)24(22,13-26)14-27/h4,6-8,10,12,19,22H,2-3,5,11,28H2,1H3InChIKey
QXSPZWOICXWQMR-UHFFFAOYSA-NSynonyms
459784-03-32AMINO4(3((4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
2amino4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
459784033
COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)CN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC24H21N7O3c134217615(816(21)11301217(102930)31(32)33)2219532418(19)20(925)23(28)24(221326)1427h46810121922H2351128H21H3
MFCD01451816
N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)(C#N)C#N
ZINC000001750435
ZINC000019827736
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.