Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK538951
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)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 C21H18FN5O2 MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-8-7-15-16(9-23)19(26)21(11-24,12-25)18(17(15)10-27)13-3-5-14(22)6-4-13/h3-7,17-18H,2,8,10,26H2,1H3/t17-,18+/m0/s1InChIKey
IKNJFPNMQLFUEI-ZWKOTPCHSA-NSynonyms
1310909-47-7(8S8aR)ethyl6amino577tricyano8(4fluorophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
1310909477
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)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=CC=C(C=C3)F
ethyl(8S8aR)6amino577tricyano8(4fluorophenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S8aR)6amino577tricyano8(4fluorophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC21H18FN5O2c122920(28)27871516(923)19(26)21(11241225)18(17(15)1027)133514(22)6413h371718H281026H21H3t1718+m0s1
MFCD18241728
ZINC000000803615
ZINC00803615
ZINC803615
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