Vitas-M small molecule compound
(4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK688101
SMILES N#CC1=C(N)C([C@H]([C@@H]2C1=CC1CC[C@H]2N1C)c1cccc(c1)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 C22H21N5O MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O/c1-27-14-6-7-18(27)19-16(9-14)17(10-23)21(26)22(11-24,12-25)20(19)13-4-3-5-15(8-13)28-2/h3-5,8-9,14,18-20H,6-7,26H2,1-2H3/t14?,18-,19+,20-/m0/s1InChIKey
FECXSRCBUAIHFT-ZNUQSRJQSA-NSynonyms
(4R4aR5S8R)2amino4(3methoxyphenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
MFCD18246967
N#CC1=C(N)C((C@H)((C@@H)2C1=CC1CC(C@H)2N1C)c1cccc(c1)OC)(C#N)C#N
ZINC000012371974
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