Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK545106
SMILES CCOC(=O)N1CC=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 C21H17F2N5O2 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O2/c1-2-30-20(29)28-6-5-13-15(8-24)19(27)21(10-25,11-26)18(16(13)9-28)14-4-3-12(22)7-17(14)23/h3-5,7,16,18H,2,6,9,27H2,1H3/t16-,18+/m0/s1InChIKey
KJLZFDGVTXNHIY-FUHWJXTLSA-NSynonyms
494792-80-2(8R8aR)ethyl6amino577tricyano8(24difluorophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
494792802
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1F)F)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F
ethyl(8R8aR)6amino577tricyano8(24difluorophenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8R8aR)6amino577tricyano8(24difluorophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC21H17F2N5O2c123020(29)28651315(824)19(27)21(10251126)18(16(13)928)144312(22)717(14)23h3571618H26927H21H3t1618+m0s1
MFCD18242198
ZINC000004452949
ZINC04452949
ZINC4452949
Check stock
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