Vitas-M small molecule compound

(8S)-6-amino-8-(3-methoxy-4-propoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK539698
SMILES CCCOc1ccc(cc1OC)[C@@H]1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)C

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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 C25H29N5O2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2/c1-5-10-32-21-7-6-17(11-22(21)31-4)23-20-13-30(16(2)3)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,16,20,23H,5,9-10,13,29H2,1-4H3/t20?,23-/m1/s1
InChIKey
VIJVHFYQMCGOQJ-GWQXNCQPSA-N
Synonyms
494791-98-9
(8S)6amino2isopropyl8(3methoxy4propoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S)6amino8(3methoxy4propoxyphenyl)2(propan2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S)6amino8(3methoxy4propoxyphenyl)2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
494791989
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C)OC
CCCOc1ccc(cc1OC)(C@@H)1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)C
InChI=1SC25H29N5O2c151032217617(1122(21)314)23201330(16(2)3)9818(20)19(1226)24(29)25(231427)1528h6811162023H59101329H214H3t20?23m1s1
MFCD18241779
ZINC000019851615
ZINC000019851618

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Available files

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