Vitas-M small molecule compound
(4R,4aR)-2-amino-4-(2,5-dimethoxyphenyl)-6-methyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK548456
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC(C2)C)c1cc(OC)ccc1OC)(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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c1-13-4-6-15-16(8-13)20(17-9-14(27-2)5-7-19(17)28-3)22(11-24,12-25)21(26)18(15)10-23/h5-7,9,13,16,20H,4,8,26H2,1-3H3/t13?,16-,20-/m0/s1InChIKey
NRWDKGSHVNWVQS-VHXSRGPHSA-NSynonyms
494792-52-8(4R4aR)2amino4(25dimethoxyphenyl)6methyl4a567tetrahydro4Hnaphthalene133tricarbonitrile
(4R4aR)2amino4(25dimethoxyphenyl)6methyl4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(25DIMETHOXYPHENYL)6METHYL4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
494792528
CC1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC
InChI=1SC22H22N4O2c113461516(813)20(17914(272)5719(17)283)22(11241225)21(26)18(15)1023h579131620H4826H213H3t13?1620m0s1
MFCD18242418
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCC(C2)C)c1cc(OC)ccc1OC)(C#N)C#N
ZINC000004631521
ZINC000004631522
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