Vitas-M small molecule compound
tert-butyl (8aR)-6-amino-5,7,7-tricyano-8-(thiophen-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK757368
SMILES N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccsc1)(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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-20(2,3)28-19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-29-10-13/h4-5,7,10,16-17H,6,9,25H2,1-3H3/t16-,17?/m0/s1InChIKey
JRHZHVGGCZWYHH-BHWOMJMDSA-NSynonyms
(8R8aR)tertbutyl6amino577tricyano8(thiophen3yl)1788atetrahydroisoquinoline2(3H)carboxylate
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3
InChI=1SC21H21N5O2Sc120(23)2819(27)26641415(822)18(25)21(11231224)17(16(14)926)1357291013h457101617H6925H213H3t1617?m0s1
MFCD13372097
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccsc1)(C#N)C#N
N#CC1=C(N)C(C((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccsc1)(C#N)C#N
tertbutyl(8aR)6amino577tricyano8(thiophen3yl)3788atetrahydroisoquinoline2(1H)carboxylate
tertbutyl(8aR)6amino577tricyano8thiophen3yl1388atetrahydroisoquinoline2carboxylate
ZINC000002056337
ZINC000002056338
Check stock
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Check stock on Vitas-MAvailable files
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