Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methoxycarbonyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK524757
SMILES COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
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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 C25H25N5O4 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O4/c1-24(2,3)34-23(32)30-10-9-17-18(11-26)21(29)25(13-27,14-28)20(19(17)12-30)15-5-7-16(8-6-15)22(31)33-4/h5-9,19-20H,10,12,29H2,1-4H3/t19-,20+/m0/s1InChIKey
IWCLEPCJZGUKMZ-VQTJNVASSA-NSynonyms
306293-73-2(8S8aR)tertbutyl6amino577tricyano8(4(methoxycarbonyl)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
306293732
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
InChI=1SC25H25N5O4c124(23)3423(32)301091718(1126)21(29)25(13271428)20(19(17)1230)155716(8615)22(31)334h591920H101229H214H3t1920+m0s1
tertbutyl(8S8aR)6amino577tricyano8(4(methoxycarbonyl)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
tertbutyl(8S8aR)6amino577tricyano8(4methoxycarbonylphenyl)1388atetrahydroisoquinoline2carboxylate
ZINC000009144927
ZINC09144927
ZINC9144927
Check stock
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Check stock on Vitas-MAvailable files
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