Vitas-M small molecule compound
(8S,8aS)-6-amino-2-(propan-2-yl)-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK748645
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1ccsc1)(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 C19H19N5S MW 349.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5S/c1-12(2)24-5-3-14-15(7-20)18(23)19(10-21,11-22)17(16(14)8-24)13-4-6-25-9-13/h3-4,6,9,12,16-17H,5,8,23H2,1-2H3/t16-,17+/m1/s1InChIKey
KTAHSMRHFRKCBY-SJORKVTESA-NSynonyms
(8S8aS)6amino2(propan2yl)8(thiophen3yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aS)6amino2propan2yl8thiophen3yl1388atetrahydroisoquinoline577tricarbonitrile
6amino2isopropyl8(thiophen3yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3
InChI=1SC19H19N5Sc112(2)24531415(720)18(23)19(10211122)17(16(14)824)134625913h3469121617H5823H212H3t1617+m1s1
MFCD13372016
N#CC1=C(N)C((C@H)((C@H)2C1=CCN(C2)C(C)C)c1ccsc1)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)C(C)C)c1ccsc1)(C#N)C#N
ZINC000020458763
ZINC20458763
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