Vitas-M small molecule compound

(8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-yl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK539649
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(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 C26H25N5O MW 423.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O/c1-3-11-31-12-10-18-21(13-27)25(30)26(15-28,16-29)24(22(18)14-31)20-8-9-23(32-2)19-7-5-4-6-17(19)20/h4-10,22,24H,3,11-12,14,30H2,1-2H3/t22-,24+/m0/s1
InChIKey
LDJMOHBVFLELDJ-LADGPHEKSA-N
Synonyms
459153-91-4
(8S8aR)6amino8(4methoxynaphthalen1yl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(4methoxynaphthalen1yl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
459153914
CCCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
InChI=1SC26H25N5Oc13113112101821(1327)25(30)26(15281629)24(22(18)1431)208923(322)19754617(19)20h4102224H311121430H212H3t2224+m0s1
MFCD18241775
ZINC000009370703
ZINC09370703
ZINC9370703

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Available files

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