Vitas-M small molecule compound
(8S,8aR)-6-amino-8-(3-bromophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK833024
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1)Br)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 C21H20BrN5 MW 422.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5/c1-2-7-27-8-6-16-17(10-23)20(26)21(12-24,13-25)19(18(16)11-27)14-4-3-5-15(22)9-14/h3-6,9,18-19H,2,7-8,11,26H2,1H3/t18-,19+/m0/s1InChIKey
DYYIMXLMFRRODY-RBUKOAKNSA-NSynonyms
302942-29-6(8S8aR)6amino8(3bromophenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(3bromophenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
302942296
CCCN1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1)Br)C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Br
InChI=1SC21H20BrN5c12727861617(1023)20(26)21(12241325)19(18(16)1127)1443515(22)914h3691819H2781126H21H3t1819+m0s1
ZINC000019758062
ZINC19758062
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