Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK539807
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)SC)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 C22H21N5O2S MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S/c1-3-29-21(28)27-9-8-16-17(10-23)20(26)22(12-24,13-25)19(18(16)11-27)14-4-6-15(30-2)7-5-14/h4-8,18-19H,3,9,11,26H2,1-2H3/t18-,19+/m0/s1InChIKey
AXBUSRSBMAXMBL-RBUKOAKNSA-NSynonyms
459153-81-2(8S8aR)ethyl6amino577tricyano8(4(methylthio)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
459153812
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)SC)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)SC
ethyl(8S8aR)6amino577tricyano8(4(methylsulfanyl)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8S8aR)6amino577tricyano8(4methylsulfanylphenyl)1388atetrahydroisoquinoline2carboxylate
InChI=1SC22H21N5O2Sc132921(28)27981617(1023)20(26)22(12241325)19(18(16)1127)144615(302)7514h481819H391126H212H3t1819+m0s1
MFCD18241790
ZINC000001754250
ZINC01754250
ZINC1754250
Check stock
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