Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(2,3-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK525724
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1F)F)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 C21H19F2N5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5/c1-2-7-28-8-6-13-15(9-24)20(27)21(11-25,12-26)18(16(13)10-28)14-4-3-5-17(22)19(14)23/h3-6,16,18H,2,7-8,10,27H2,1H3/t16-,18+/m0/s1InChIKey
BEKHUVRGOKGOBJ-FUHWJXTLSA-NSynonyms
306294-23-5(8R8aR)6amino8(23difluorophenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino8(23difluorophenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
306294235
CCCN1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1F)F)C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)F)F
InChI=1SC21H19F2N5c12728861315(924)20(27)21(11251226)18(16(13)1028)1443517(22)19(14)23h361618H2781027H21H3t1618+m0s1
ZINC000004631455
ZINC04631455
ZINC4631455
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