Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK700536
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccccc1OC)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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-3-30-21(28)27-9-8-14-16(10-23)20(26)22(12-24,13-25)19(17(14)11-27)15-6-4-5-7-18(15)29-2/h4-8,17,19H,3,9,11,26H2,1-2H3/t17-,19+/m0/s1InChIKey
ULXJWSWGSXVXON-PKOBYXMFSA-NSynonyms
351449-15-5(8R8aR)ethyl6amino577tricyano8(2methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
351449155
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccccc1OC)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OC
ethyl(8R8aR)6amino577tricyano8(2methoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8R8aR)6amino577tricyano8(2methoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC22H21N5O3c133021(28)27981416(1023)20(26)22(12241325)19(17(14)1127)15645718(15)292h481719H391126H212H3t1719+m0s1
ZINC000004473408
ZINC04473408
ZINC4473408
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