Vitas-M small molecule compound
ethyl (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK538732
SMILES CCOC(=O)N1CC=C2C(C1)[C@@H](c1ccc(cc1)CC)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 C23H23N5O2 MW 401.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2/c1-3-15-5-7-16(8-6-15)20-19-12-28(22(29)30-4-2)10-9-17(19)18(11-24)21(27)23(20,13-25)14-26/h5-9,19-20H,3-4,10,12,27H2,1-2H3/t19?,20-/m1/s1InChIKey
WVUISOZSNLXKEM-GFOWMXPYSA-NSynonyms
488783-73-9(8S)ethyl6amino577tricyano8(4ethylphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
488783739
CCC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC
CCOC(=O)N1CC=C2C(C1)(C@@H)(c1ccc(cc1)CC)C(C(=C2C#N)N)(C#N)C#N
ethyl(8S)6amino577tricyano8(4ethylphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S)6amino577tricyano8(4ethylphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC23H23N5O2c13155716(8615)20191228(22(29)3042)10917(19)18(1124)21(27)23(201325)1426h591920H34101227H212H3t19?20m1s1
MFCD18241715
ZINC000019816344
ZINC000019816346
Check stock
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Check stock on Vitas-MAvailable files
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