Vitas-M small molecule compound

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

Catalog ID
STK539386
SMILES CCCN1CC=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 C25H29N5 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5/c1-5-11-30-12-10-19-20(13-26)23(29)25(15-27,16-28)22(21(19)14-30)17-6-8-18(9-7-17)24(2,3)4/h6-10,21-22H,5,11-12,14,29H2,1-4H3/t21-,22+/m0/s1
InChIKey
LBUYAUNRTRTBJN-FCHUYYIVSA-N
Synonyms
459153-47-0
(8S8aR)6amino8(4(tertbutyl)phenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)6amino8(4tertbutylphenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(4tertbutylphenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
459153470
CCCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)C(C)(C)C)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(C=C3)C(C)(C)C
InChI=1SC25H29N5c15113012101920(1326)23(29)25(15271628)22(21(19)1430)176818(9717)24(23)4h6102122H511121429H214H3t2122+m0s1
MFCD18241759
ZINC000019852552
ZINC19852552

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Available files

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