Vitas-M small molecule compound
tert-butyl (8aS)-6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK525314
SMILES N#CC1=C(N)C(C([C@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)SC)(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 C24H25N5O2S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O2S/c1-23(2,3)31-22(30)29-10-9-17-18(11-25)21(28)24(13-26,14-27)20(19(17)12-29)15-5-7-16(32-4)8-6-15/h5-9,19-20H,10,12,28H2,1-4H3/t19-,20?/m1/s1InChIKey
SPQYXMBLNBTDDN-FIWHBWSRSA-NSynonyms
303101-73-7(8aS)tertbutyl6amino577tricyano8(4(methylthio)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303101737
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI=1SC24H25N5O2Sc123(23)3122(30)291091718(1125)21(28)24(13261427)20(19(17)1229)155716(324)8615h591920H101228H214H3t1920?m1s1
MFCD18241542
N#CC1=C(N)C(C((C@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)SC)(C#N)C#N
tertbutyl(8aS)6amino577tricyano8(4(methylsulfanyl)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
tertbutyl(8aS)6amino577tricyano8(4methylsulfanylphenyl)1388atetrahydroisoquinoline2carboxylate
ZINC000008934497
ZINC000008934498
Check stock
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Check stock on Vitas-MAvailable files
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