Vitas-M small molecule compound

(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK540543
SMILES CCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)C(C)(C)C)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 C24H27N5 MW 385.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5/c1-5-29-11-10-18-19(12-25)22(28)24(14-26,15-27)21(20(18)13-29)16-6-8-17(9-7-16)23(2,3)4/h6-10,20-21H,5,11,13,28H2,1-4H3/t20-,21+/m0/s1
InChIKey
KPSQNEAHAHLMMD-LEWJYISDSA-N
Synonyms
459147-77-4
(8S8aR)6amino8(4(tertbutyl)phenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)6amino8(4tertbutylphenyl)2ethyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(4tertbutylphenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
459147774
CCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)C(C)(C)C)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC24H27N5c152911101819(1225)22(28)24(14261527)21(20(18)1329)166817(9716)23(23)4h6102021H5111328H214H3t2021+m0s1
MFCD18241835
ZINC000019852509
ZINC19852509

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Available files

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