Vitas-M small molecule compound

3-amino-7-tert-butyl-2-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile

Catalog ID
STK956899
SMILES N#CC1=C(N)C(C(C2C1=CCC(C2)C(C)(C)C)C#N)(C#N)c1ccccc1

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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 C23H24N4 MW 356.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4/c1-22(2,3)16-9-10-17-18(11-16)20(13-25)23(14-26,21(27)19(17)12-24)15-7-5-4-6-8-15/h4-8,10,16,18,20H,9,11,27H2,1-3H3
InChIKey
YOIGSSDLAWGEHW-UHFFFAOYSA-N
Synonyms
491831-55-1
3amino7tertbutyl2phenyl126788ahexahydronaphthalene124tricarbonitrile
3amino7tertbutyl2phenyl6788atetrahydro1Hnaphthalene124tricarbonitrile
491831551
CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C3=CC=CC=C3)C#N
InChI=1SC23H24N4c122(23)169101718(1116)20(1325)23(142621(27)19(17)1224)157546815h4810161820H91127H213H3
MFCD01451175
ZINC000004631314
ZINC000013881985

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Available files

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