Vitas-M small molecule compound
trifluoromethyl (8S,8aR)-6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK526695
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(F)(F)F)c1cccc(c1)Cl)(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 C20H13ClF3N5O2 MW 447.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClF3N5O2/c21-12-3-1-2-11(6-12)16-15-8-29(18(30)31-20(22,23)24)5-4-13(15)14(7-25)17(28)19(16,9-26)10-27/h1-4,6,15-16H,5,8,28H2/t15-,16+/m0/s1InChIKey
SGGDCBKKKXLMKD-JKSUJKDBSA-NSynonyms
302901-54-8(8S8aR)trifluoromethyl6amino8(3chlorophenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
302901548
C1C=C2C(CN1C(=O)OC(F)(F)F)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI=1SC20H13ClF3N5O2c211231211(612)1615829(18(30)3120(2223)24)5413(15)14(725)17(28)19(16926)1027h1461516H5828H2t1516+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(F)(F)F)c1cccc(c1)Cl)(C#N)C#N
trifluoromethyl(8S8aR)6amino8(3chlorophenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
trifluoromethyl(8S8aR)6amino8(3chlorophenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000020792348
ZINC20792348
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