Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK540977
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1F)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/c1-2-6-28-7-5-14-16(9-24)20(27)21(11-25,12-26)19(17(14)10-28)15-4-3-13(22)8-18(15)23/h3-5,8,17,19H,2,6-7,10,27H2,1H3/t17-,19+/m0/s1InChIKey
GXJBZBRIYWBHRG-PKOBYXMFSA-NSynonyms
445462-63-5(8R8aR)6amino8(24difluorophenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino8(24difluorophenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
445462635
CCCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1F)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=C(C=C3)F)F
InChI=1SC21H19F2N5c12628751416(924)20(27)21(11251226)19(17(14)1028)154313(22)818(15)23h3581719H2671027H21H3t1719+m0s1
MFCD18241868
ZINC000000803680
ZINC00803680
ZINC803680
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