Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK540487
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1F)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 C22H20FN5O3 MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN5O3/c1-3-31-21(29)28-7-6-14-16(9-24)20(27)22(11-25,12-26)19(17(14)10-28)15-8-13(30-2)4-5-18(15)23/h4-6,8,17,19H,3,7,10,27H2,1-2H3/t17-,19+/m0/s1InChIKey
MEGWETPXOPIUCM-PKOBYXMFSA-NSynonyms
459155-69-2(8R8aR)ethyl6amino577tricyano8(2fluoro5methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
459155692
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1cc(OC)ccc1F)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=CC(=C3)OC)F
ethyl(8R8aR)6amino577tricyano8(2fluoro5methoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8R8aR)6amino577tricyano8(2fluoro5methoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC22H20FN5O3c133121(29)28761416(924)20(27)22(11251226)19(17(14)1028)15813(302)4518(15)23h4681719H371027H212H3t1719+m0s1
MFCD18241830
ZINC000006195026
ZINC06195026
ZINC6195026
Check stock
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