Vitas-M small molecule compound

2-amino-4-[3-methoxy-4-(pentyloxy)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STK544437
SMILES CCCCCOc1ccc(cc1OC)C1C2CCCC=C2C(=C(C1(C#N)C#N)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 C25H28N4O2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2/c1-3-4-7-12-31-21-11-10-17(13-22(21)30-2)23-19-9-6-5-8-18(19)20(14-26)24(29)25(23,15-27)16-28/h8,10-11,13,19,23H,3-7,9,12,29H2,1-2H3
InChIKey
JRIAUUOFDOMHKZ-UHFFFAOYSA-N
Synonyms
445266-40-0
2AMINO4(3(METHYLOXY)4(PENTYLOXY)PHENYL)4A567TETRAHYDRONAPHTHALENE133(4H)TRICARBONITRILE
2amino4(3methoxy4(pentyloxy)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(3METHOXY4PENTOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
445266400
CCCCCOC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC
InChI=1SC25H28N4O2c1347123121111017(1322(21)302)2319965818(19)20(1426)24(29)25(231527)1628h81011131923H3791229H212H3
MFCD01789633
ZINC000019851902
ZINC000019851910

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Available files

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