Vitas-M small molecule compound

6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STL335370
SMILES CCCOc1ccc(cc1OCC)C1C2CN(CCC)CC=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 C26H31N5O2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2/c1-4-10-31-11-9-19-20(14-27)25(30)26(16-28,17-29)24(21(19)15-31)18-7-8-22(33-12-5-2)23(13-18)32-6-3/h7-9,13,21,24H,4-6,10-12,15,30H2,1-3H3
InChIKey
XUODHVFVEHTAMS-UHFFFAOYSA-N
Synonyms

(8S8aR)6amino8(3ethoxy4propoxyphenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(3ethoxy4propoxyphenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
6amino8(3ethoxy4propoxyphenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCCC)OCC
CCCOc1ccc(cc1OCC)(C@@H)1(C@H)2CN(CCC)CC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC26H31N5O2c1410311191920(1427)25(30)26(16281729)24(21(19)1531)187822(331252)23(1318)3263h79132124H4610121530H213H3
MFCD28032042
ZINC000008441892
ZINC000016037938

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Available files

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