Vitas-M small molecule compound

(8R,8aR)-6-amino-8-(2-fluoro-5-methoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK539903
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(C)C)c1cc(OC)ccc1F)(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 C22H22FN5O MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O/c1-13(2)28-7-6-15-17(9-24)21(27)22(11-25,12-26)20(18(15)10-28)16-8-14(29-3)4-5-19(16)23/h4-6,8,13,18,20H,7,10,27H2,1-3H3/t18-,20+/m0/s1
InChIKey
OSPJDKSVHFHVON-AZUAARDMSA-N
Synonyms
459147-21-8
(8R8aR)6amino8(2fluoro5methoxyphenyl)2(propan2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R8aR)6amino8(2fluoro5methoxyphenyl)2isopropyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R8aR)6amino8(2fluoro5methoxyphenyl)2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
459147218
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)F
InChI=1SC22H22FN5Oc113(2)28761517(924)21(27)22(11251226)20(18(15)1028)16814(293)4519(16)23h468131820H71027H213H3t1820+m0s1
MFCD18241793
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(C)C)c1cc(OC)ccc1F)(C#N)C#N
ZINC000001250778
ZINC01250778
ZINC1250778

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Available files

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