Vitas-M small molecule compound
(4R,4aS)-2-amino-4-[4-(propan-2-yl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK748647
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCCC2)c1ccc(cc1)C(C)C)(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 C22H22N4 MW 342.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4/c1-14(2)15-7-9-16(10-8-15)20-18-6-4-3-5-17(18)19(11-23)21(26)22(20,12-24)13-25/h5,7-10,14,18,20H,3-4,6,26H2,1-2H3/t18-,20+/m1/s1InChIKey
XDWWZPIRAZJHNT-QUCCMNQESA-NSynonyms
(4R4aS)2amino4(4(propan2yl)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
(4R4AS)2AMINO4(4PROPAN2YLPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(4isopropylphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
CC(C)C1=CC=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
InChI=1SC22H22N4c114(2)157916(10815)2018643517(18)19(1123)21(26)22(201224)1325h5710141820H34626H212H3t1820+m1s1
MFCD13372017
N#CC1=C(N)C((C@H)((C@H)2C1=CCCC2)c1ccc(cc1)C(C)C)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(cc1)C(C)C)(C#N)C#N
ZINC000019805269
ZINC19805269
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