Vitas-M small molecule compound

2-amino-6-tert-butyl-4-(2,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STL325389
SMILES N#CC1=C(N)C(C(C2C1=CCC(C2)C(C)(C)C)c1cc(OC)c(cc1OC)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 C26H30N4O3 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3/c1-25(2,3)15-7-8-16-17(9-15)23(26(13-28,14-29)24(30)19(16)12-27)18-10-21(32-5)22(33-6)11-20(18)31-4/h8,10-11,15,17,23H,7,9,30H2,1-6H3
InChIKey
PMUOFPWAARLTGP-UHFFFAOYSA-N
Synonyms
(4R4aR)2amino6(tertbutyl)4(245trimethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO6TERTBUTYL4(245TRIMETHOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino6tertbutyl4(245trimethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3OC)OC)OC
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCC(C2)C(C)(C)C)c1cc(OC)c(cc1OC)OC)(C#N)C#N
Registry IDs
MFCD28030844
ZINC000008442009
ZINC000043409596

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Available files

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