Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK544513
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)C)(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 C30H29N5O2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O2/c1-29(2,3)22-11-9-21(10-12-22)26-25-16-35(28(36)37-17-20-7-5-4-6-8-20)14-13-23(25)24(15-31)27(34)30(26,18-32)19-33/h4-13,25-26H,14,16-17,34H2,1-3H3/t25-,26+/m0/s1InChIKey
ARLBHVVJLDILMP-IZZNHLLZSA-NSynonyms
494792-88-0(8S8aR)benzyl6amino8(4(tertbutyl)phenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
494792880
benzyl(8S8aR)6amino8(4tertbutylphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino8(4tertbutylphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
CC(C)(C)C1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4
InChI=1SC30H29N5O2c129(23)2211921(101222)26251635(28(36)3717207546820)141323(25)24(1531)27(34)30(261832)1933h4132526H14161734H213H3t2526+m0s1
MFCD18242156
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)C)(C#N)C#N
ZINC000001261450
ZINC01261450
ZINC1261450
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.